N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine

C20H39N — CID 142282726

IUPACN,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
SMILESCCCCCC1CCC(C2CCC(CN(C)C)CC2)CC1
InChIInChI=1S/C20H39N/c1-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(11-15-20)16-21(2)3/h17-20H,4-16H2,1-3H3
InChIKeyOGCKVIUGPZXHLO-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.74
Rot. Bonds7

About N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine

N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine (PubChem CID 142282726) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
PubChem CID142282726
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
SMILESCCCCCC1CCC(C2CCC(CN(C)C)CC2)CC1
InChIInChI=1S/C20H39N/c1-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(11-15-20)16-21(2)3/h17-20H,4-16H2,1-3H3
InChIKeyOGCKVIUGPZXHLO-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal
CID 142282725
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
hexane;pentylcyclopropane
CID 159592467
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine (CID 142282726) is N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine is CCCCCC1CCC(C2CCC(CN(C)C)CC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine?
The InChIKey is OGCKVIUGPZXHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(11-15-20)16-21(2)3/h17-20H,4-16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine?
N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine has a molecular weight of 293.54 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine is sourced from PubChem (CID 142282726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).