N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine

C22H41N — CID 91120095

IUPACN-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine
SMILESCCC(CCC1=CC(C)CCC1C(C)(C)C)NC1CCCCC1
InChIInChI=1S/C22H41N/c1-6-19(23-20-10-8-7-9-11-20)14-13-18-16-17(2)12-15-21(18)22(3,4)5/h16-17,19-21,23H,6-15H2,1-5H3
InChIKeyHXHUHLSURSLXDU-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.49
Rot. Bonds6

About N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine

N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine (PubChem CID 91120095) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine
PubChem CID91120095
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC NameN-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine
SMILESCCC(CCC1=CC(C)CCC1C(C)(C)C)NC1CCCCC1
InChIInChI=1S/C22H41N/c1-6-19(23-20-10-8-7-9-11-20)14-13-18-16-17(2)12-15-21(18)22(3,4)5/h16-17,19-21,23H,6-15H2,1-5H3
InChIKeyHXHUHLSURSLXDU-UHFFFAOYSA-N
XLogP6.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
Hexadiline
CID 219119
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclohexanamine
CID 44570709
Halichonine B
CID 56834630
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
Veratraman
CID 9548767
N-[(E,2S)-3-[(2R)-2-ethyl-5-fluorocyclohexyl]pent-3-en-2-yl]-4-methylcyclohexan-1-amine
CID 68341249
5-butyl-N-[(7-butyl-7-ethenyl-5-ethyl-4-fluoro-5-methylcyclohept-2-en-1-yl)methyl]-4-ethylcyclohepta-2,5-dien-1-amine
CID 123780514
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
2,6-difluoro-N-[3-[6-(4-fluoro-2-methylcyclohexyl)-2-methyl-4-propan-2-ylcyclohexen-1-yl]propyl]cyclohex-2-en-1-amine
CID 142802718

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine?
The IUPAC name of N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine (CID 91120095) is N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine.
What is the SMILES notation for N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine?
The canonical SMILES for N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine is CCC(CCC1=CC(C)CCC1C(C)(C)C)NC1CCCCC1.
What is the InChIKey of N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine?
The InChIKey is HXHUHLSURSLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-6-19(23-20-10-8-7-9-11-20)14-13-18-16-17(2)12-15-21(18)22(3,4)5/h16-17,19-21,23H,6-15H2,1-5H3.
What are the key properties of N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine?
N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine has a molecular weight of 319.58 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine is sourced from PubChem (CID 91120095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).