N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C18H37N — CID 81030587

IUPACN-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CCC1CC(C)(C)CCC1CNCC(C)C
InChIInChI=1S/C18H37N/c1-14(2)7-8-16-11-18(5,6)10-9-17(16)13-19-12-15(3)4/h14-17,19H,7-13H2,1-6H3
InChIKeyIDRROZOHNIHMEL-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.11
Rot. Bonds7

About N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81030587) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81030587
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CCC1CC(C)(C)CCC1CNCC(C)C
InChIInChI=1S/C18H37N/c1-14(2)7-8-16-11-18(5,6)10-9-17(16)13-19-12-15(3)4/h14-17,19H,7-13H2,1-6H3
InChIKeyIDRROZOHNIHMEL-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
CID 81031261
N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022215
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
N-[[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81037090
N-[[2-(3-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 107361308
N-[[2-(3-ethylsulfanylpropyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 113474801
N-[(4,4-dimethyl-2-pent-3-ynylcyclohexyl)methyl]propan-2-amine
CID 104813992
1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735635
N-[[2-(2-tert-butylsulfonylethyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 106735642
2-methyl-N-[[2-methyl-2-(3-methylbutyl)cyclopropyl]methyl]propan-1-amine
CID 62713179
N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 116628213
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81030587) is N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CCC1CC(C)(C)CCC1CNCC(C)C.
What is the InChIKey of N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IDRROZOHNIHMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-14(2)7-8-16-11-18(5,6)10-9-17(16)13-19-12-15(3)4/h14-17,19H,7-13H2,1-6H3.
What are the key properties of N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81030587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).