N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine

C25H46N2 — CID 118983920

IUPACN-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C3CCC(NC4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C25H46N2/c1-19-7-13-23(14-8-19)27-25-17-11-21(12-18-25)20-9-15-24(16-10-20)26-22-5-3-2-4-6-22/h19-27H,2-18H2,1H3
InChIKeyLUKGHPFRYWFJAI-UHFFFAOYSA-N
MW374.66 g/mol
LogP6.19
Rot. Bonds5

About N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine

N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine (PubChem CID 118983920) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
PubChem CID118983920
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC NameN-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C3CCC(NC4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C25H46N2/c1-19-7-13-23(14-8-19)27-25-17-11-21(12-18-25)20-9-15-24(16-10-20)26-22-5-3-2-4-6-22/h19-27H,2-18H2,1H3
InChIKeyLUKGHPFRYWFJAI-UHFFFAOYSA-N
XLogP6.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine with MolForge

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Related Compounds

N-cyclopentyl-4-methylcyclohexan-1-amine;hydrobromide
CID 75531499
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
N,4-dicyclohexylcyclohexan-1-amine
CID 70368908
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N-cyclopropylcyclododecanamine
CID 16776852
N-cyclohexylcyclohexanamine;ethane
CID 67925930
3-cyclopropyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 115655106
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
N-cyclohexylbicyclo[3.2.0]heptan-3-amine
CID 170206740
N-methylbicyclo[8.7.0]heptadecan-13-amine
CID 170240030
N-(3-methylcyclobutyl)cyclopentanamine
CID 115671682
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine (CID 118983920) is N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine is CC1CCC(NC2CCC(C3CCC(NC4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine?
The InChIKey is LUKGHPFRYWFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2/c1-19-7-13-23(14-8-19)27-25-17-11-21(12-18-25)20-9-15-24(16-10-20)26-22-5-3-2-4-6-22/h19-27H,2-18H2,1H3.
What are the key properties of N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine?
N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine has a molecular weight of 374.66 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 118983920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).