4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine

C18H35N — CID 107412240

IUPAC4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC2CCC(C)C2)CC1
InChIInChI=1S/C18H35N/c1-5-18(3,4)16-8-10-17(11-9-16)19-13-15-7-6-14(2)12-15/h14-17,19H,5-13H2,1-4H3
InChIKeyYZGMCEFNAJIHNN-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine (PubChem CID 107412240) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
PubChem CID107412240
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC2CCC(C)C2)CC1
InChIInChI=1S/C18H35N/c1-5-18(3,4)16-8-10-17(11-9-16)19-13-15-7-6-14(2)12-15/h14-17,19H,5-13H2,1-4H3
InChIKeyYZGMCEFNAJIHNN-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
N-[(3-methylcyclopentyl)methyl]azetidin-3-amine
CID 107412080
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
CID 43094810
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone
CID 107411452
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine (CID 107412240) is 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCC2CCC(C)C2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine?
The InChIKey is YZGMCEFNAJIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-18(3,4)16-8-10-17(11-9-16)19-13-15-7-6-14(2)12-15/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107412240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).