4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine

C17H34N2 — CID 55094183

IUPAC4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CC(C(C)(C)C)CCC1N)C1CCCC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-9-10-16(18)13(11-14)12-19(4)15-7-5-6-8-15/h13-16H,5-12,18H2,1-4H3
InChIKeyINEYRIVSLUOZBO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine

4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine (PubChem CID 55094183) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
PubChem CID55094183
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CC(C(C)(C)C)CCC1N)C1CCCC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-9-10-16(18)13(11-14)12-19(4)15-7-5-6-8-15/h13-16H,5-12,18H2,1-4H3
InChIKeyINEYRIVSLUOZBO-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
CID 63483790
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
CID 102870921
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
4-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62546939
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494955
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
4-[2-(4-amino-3-ethylcyclohexyl)propan-2-yl]-2-ethylcyclohexan-1-amine
CID 118035063

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine (CID 55094183) is 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine is CN(CC1CC(C(C)(C)C)CCC1N)C1CCCC1.
What is the InChIKey of 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is INEYRIVSLUOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)14-9-10-16(18)13(11-14)12-19(4)15-7-5-6-8-15/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55094183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).