ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane

C33H72NP — CID 142507539

IUPACethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane
SMILESC.CC.CC(C)C.CC1CCCC[C@@H]1C1(P)CCCC1.CCCC(C)(CC)C1CCCCC1NC
InChIInChI=1S/C14H29N.C12H23P.C4H10.C2H6.CH4/c1-5-11-14(3,6-2)12-9-7-8-10-13(12)15-4;1-10-6-2-3-7-11(10)12(13)8-4-5-9-12;1-4(2)3;1-2;/h12-13,15H,5-11H2,1-4H3;10-11H,2-9,13H2,1H3;4H,1-3H3;1-2H3;1H4/t;10?,11-;;;/m.0.../s1
InChIKeyHLEWWPITZGBGPY-SXACEXEKSA-N
MW513.92 g/mol
LogP11.31
Rot. Bonds6

About ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane

ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane (PubChem CID 142507539) has the molecular formula C33H72NP and a molecular weight of 513.92 g/mol. Its IUPAC name is ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane.

Molecular Properties

Compound Nameethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane
PubChem CID142507539
Molecular FormulaC33H72NP
Molecular Weight513.92 g/mol
Exact Mass513.54
IUPAC Nameethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane
SMILESC.CC.CC(C)C.CC1CCCC[C@@H]1C1(P)CCCC1.CCCC(C)(CC)C1CCCCC1NC
InChIInChI=1S/C14H29N.C12H23P.C4H10.C2H6.CH4/c1-5-11-14(3,6-2)12-9-7-8-10-13(12)15-4;1-10-6-2-3-7-11(10)12(13)8-4-5-9-12;1-4(2)3;1-2;/h12-13,15H,5-11H2,1-4H3;10-11H,2-9,13H2,1H3;4H,1-3H3;1-2H3;1H4/t;10?,11-;;;/m.0.../s1
InChIKeyHLEWWPITZGBGPY-SXACEXEKSA-N
XLogP11.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.92
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane with MolForge

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Launch Full Analysis

Related Compounds

1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
1-methyl-2-(3-methylpentan-3-yl)cyclohexane
CID 123475804
diethyl-methyl-[1-(2-methylcyclopentyl)cyclohexyl]phosphanium
CID 58903814
1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol
CID 138485486
N,2-dimethylcyclopentan-1-amine;ethane
CID 144598118
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine
CID 167246300
trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508980
cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481

Frequently Asked Questions

What is the IUPAC name of ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane?
The IUPAC name of ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane (CID 142507539) is ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane.
What is the SMILES notation for ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane?
The canonical SMILES for ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane is C.CC.CC(C)C.CC1CCCC[C@@H]1C1(P)CCCC1.CCCC(C)(CC)C1CCCCC1NC.
What is the InChIKey of ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane?
The InChIKey is HLEWWPITZGBGPY-SXACEXEKSA-N. The full InChI is InChI=1S/C14H29N.C12H23P.C4H10.C2H6.CH4/c1-5-11-14(3,6-2)12-9-7-8-10-13(12)15-4;1-10-6-2-3-7-11(10)12(13)8-4-5-9-12;1-4(2)3;1-2;/h12-13,15H,5-11H2,1-4H3;10-11H,2-9,13H2,1H3;4H,1-3H3;1-2H3;1H4/t;10?,11-;;;/m.0.../s1.
What are the key properties of ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane?
ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane has a molecular weight of 513.92 g/mol, XLogP of 11.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[1-[(1S)-2-methylcyclohexyl]cyclopentyl]phosphane;N-methyl-2-(3-methylhexan-3-yl)cyclohexan-1-amine;2-methylpropane is sourced from PubChem (CID 142507539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).