cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron

C19H37FeNO — CID 162289265

IUPACcyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron
SMILESC1CCCC1.CCC(CC(C)C(=O)N(C)C)C1CCCC1.[Fe]
InChIInChI=1S/C14H27NO.C5H10.Fe/c1-5-12(13-8-6-7-9-13)10-11(2)14(16)15(3)4;1-2-4-5-3-1;/h11-13H,5-10H2,1-4H3;1-5H2;
InChIKeyQMPPBUUAGHTOQG-UHFFFAOYSA-N
MW351.36 g/mol
LogP5.27
Rot. Bonds5

About cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron

cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron (PubChem CID 162289265) has the molecular formula C19H37FeNO and a molecular weight of 351.36 g/mol. Its IUPAC name is cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron.

Molecular Properties

Compound Namecyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron
PubChem CID162289265
Molecular FormulaC19H37FeNO
Molecular Weight351.36 g/mol
Exact Mass351.22
IUPAC Namecyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron
SMILESC1CCCC1.CCC(CC(C)C(=O)N(C)C)C1CCCC1.[Fe]
InChIInChI=1S/C14H27NO.C5H10.Fe/c1-5-12(13-8-6-7-9-13)10-11(2)14(16)15(3)4;1-2-4-5-3-1;/h11-13H,5-10H2,1-4H3;1-5H2;
InChIKeyQMPPBUUAGHTOQG-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclopentane;iron;2-methoxyethyl 4-cyclopentyl-7-(dimethylamino)-2-ethyl-2,6-dimethyl-7-oxoheptanoate
CID 162288982
4-cyclohexylhexan-2-ol
CID 11830109
2-amino-4-cyclohexylhexanoic acid
CID 19433409
5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide
CID 154591655
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
CID 14930114
1,3-dicyclohexylpentan-1-one
CID 145376724
5-methylhexan-3-ylcyclohexane;prop-1-ene
CID 143963262
5-cyclohexylheptan-2-ol
CID 89364025
(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
CID 68552101
2-(cyclohexylmethylamino)-N,N,4-trimethylpentanamide
CID 43674999

Frequently Asked Questions

What is the IUPAC name of cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron?
The IUPAC name of cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron (CID 162289265) is cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron.
What is the SMILES notation for cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron?
The canonical SMILES for cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron is C1CCCC1.CCC(CC(C)C(=O)N(C)C)C1CCCC1.[Fe].
What is the InChIKey of cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron?
The InChIKey is QMPPBUUAGHTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C5H10.Fe/c1-5-12(13-8-6-7-9-13)10-11(2)14(16)15(3)4;1-2-4-5-3-1;/h11-13H,5-10H2,1-4H3;1-5H2;.
What are the key properties of cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron?
cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron has a molecular weight of 351.36 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron is sourced from PubChem (CID 162289265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).