[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine

C14H29N — CID 65392807

IUPAC[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(CCC(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-12-5-7-14(11-15,8-6-12)10-9-13(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyKZWSPUIZZARPTP-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds3

About [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine

[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine (PubChem CID 65392807) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
PubChem CID65392807
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(CCC(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-12-5-7-14(11-15,8-6-12)10-9-13(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyKZWSPUIZZARPTP-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
[4-methyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanamine
CID 65395087
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 63522154
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106219112
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
CID 65052054
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
CID 115442724
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116627826

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine (CID 65392807) is [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(CCC(C)(C)C)CC1.
What is the InChIKey of [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine?
The InChIKey is KZWSPUIZZARPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12-5-7-14(11-15,8-6-12)10-9-13(2,3)4/h12H,5-11,15H2,1-4H3.
What are the key properties of [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine?
[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 65392807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).