(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))

C54H107Br2Fe2NP2 — CID 162275661

IUPAC(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))
SMILESC1CCC(PC2CCCCC2)CC1.C1CCCC1.C1CCCC1.C[C@H](C1CCCC1Br)N(C)C.C[C@H](C1CCCC1Br)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2]
InChIInChI=1S/C19H34BrP.C12H23P.C9H18BrN.2C5H10.4CH3.2Fe/c1-15(18-13-8-14-19(18)20)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(11(2)3)8-5-4-6-9(8)10;2*1-2-4-5-3-1;;;;;;/h15-19H,2-14H2,1H3;11-13H,1-10H2;7-9H,4-6H2,1-3H3;2*1-5H2;4*1H3;;/q;;;;;4*-1;2*+2/t15-,18?,19?;;7-,8?,9?;;;;;;;;/m1.1......../s1
InChIKeyWMAHGYGRLAXUDZ-XFWBVCDPSA-N
MW1103.90 g/mol
LogP19.61
Rot. Bonds8

About (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))

(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)) (PubChem CID 162275661) has the molecular formula C54H107Br2Fe2NP2 and a molecular weight of 1103.90 g/mol. Its IUPAC name is (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)).

Molecular Properties

Compound Name(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))
PubChem CID162275661
Molecular FormulaC54H107Br2Fe2NP2
Molecular Weight1103.90 g/mol
Exact Mass1101.49
IUPAC Name(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))
SMILESC1CCC(PC2CCCCC2)CC1.C1CCCC1.C1CCCC1.C[C@H](C1CCCC1Br)N(C)C.C[C@H](C1CCCC1Br)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2]
InChIInChI=1S/C19H34BrP.C12H23P.C9H18BrN.2C5H10.4CH3.2Fe/c1-15(18-13-8-14-19(18)20)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(11(2)3)8-5-4-6-9(8)10;2*1-2-4-5-3-1;;;;;;/h15-19H,2-14H2,1H3;11-13H,1-10H2;7-9H,4-6H2,1-3H3;2*1-5H2;4*1H3;;/q;;;;;4*-1;2*+2/t15-,18?,19?;;7-,8?,9?;;;;;;;;/m1.1......../s1
InChIKeyWMAHGYGRLAXUDZ-XFWBVCDPSA-N
XLogP19.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.90
LogP ≤ 519.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)) with MolForge

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Related Compounds

cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91318546
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane
CID 162272178
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
[2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91000587
cyclobutyl(cyclooctyl)phosphane
CID 69424806
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
CID 137319736
(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine
CID 140666053
di(cyclodecyl)phosphane
CID 18705980
cycloheptyl(cyclopentyl)phosphane
CID 69425956
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))?
The IUPAC name of (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)) (CID 162275661) is (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)).
What is the SMILES notation for (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))?
The canonical SMILES for (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)) is C1CCC(PC2CCCCC2)CC1.C1CCCC1.C1CCCC1.C[C@H](C1CCCC1Br)N(C)C.C[C@H](C1CCCC1Br)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].
What is the InChIKey of (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))?
The InChIKey is WMAHGYGRLAXUDZ-XFWBVCDPSA-N. The full InChI is InChI=1S/C19H34BrP.C12H23P.C9H18BrN.2C5H10.4CH3.2Fe/c1-15(18-13-8-14-19(18)20)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(11(2)3)8-5-4-6-9(8)10;2*1-2-4-5-3-1;;;;;;/h15-19H,2-14H2,1H3;11-13H,1-10H2;7-9H,4-6H2,1-3H3;2*1-5H2;4*1H3;;/q;;;;;4*-1;2*+2/t15-,18?,19?;;7-,8?,9?;;;;;;;;/m1.1......../s1.
What are the key properties of (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))?
(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)) has a molecular weight of 1103.90 g/mol, XLogP of 19.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+)) is sourced from PubChem (CID 162275661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).