[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine

C18H35N — CID 81011858

IUPAC[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
SMILESCC1CCCC(C2CC(C(C)(C)C)CCC2CN)C1
InChIInChI=1S/C18H35N/c1-13-6-5-7-14(10-13)17-11-16(18(2,3)4)9-8-15(17)12-19/h13-17H,5-12,19H2,1-4H3
InChIKeyHXIQVLCLEXTSKS-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.85
Rot. Bonds2

About [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine

[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine (PubChem CID 81011858) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
PubChem CID81011858
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
SMILESCC1CCCC(C2CC(C(C)(C)C)CCC2CN)C1
InChIInChI=1S/C18H35N/c1-13-6-5-7-14(10-13)17-11-16(18(2,3)4)9-8-15(17)12-19/h13-17H,5-12,19H2,1-4H3
InChIKeyHXIQVLCLEXTSKS-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-tert-butyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81011372
1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane
CID 161402901
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58527703
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63403927
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
CID 81031059
2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
CID 81026999
4-(3,5-ditert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123237411
(3-methylcyclohexyl)methanamine
CID 18361468
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine (CID 81011858) is [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine is CC1CCCC(C2CC(C(C)(C)C)CCC2CN)C1.
What is the InChIKey of [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine?
The InChIKey is HXIQVLCLEXTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-13-6-5-7-14(10-13)17-11-16(18(2,3)4)9-8-15(17)12-19/h13-17H,5-12,19H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine?
[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine has a molecular weight of 265.48 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine is sourced from PubChem (CID 81011858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).