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

C18H36N2 — CID 63483790

IUPAC4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CC(C(C)(C)C)CCC1N)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-18(2,3)15-10-11-17(19)14(12-15)13-20(4)16-8-6-5-7-9-16/h14-17H,5-13,19H2,1-4H3
InChIKeyMIHMZYJDOBSCGF-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds3

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

4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine (PubChem CID 63483790) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
PubChem CID63483790
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CC(C(C)(C)C)CCC1N)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-18(2,3)15-10-11-17(19)14(12-15)13-20(4)16-8-6-5-7-9-16/h14-17H,5-13,19H2,1-4H3
InChIKeyMIHMZYJDOBSCGF-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
CID 55094183
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
CID 102870921
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
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494955
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine (CID 63483790) is 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine is CN(CC1CC(C(C)(C)C)CCC1N)C1CCCCC1.
What is the InChIKey of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is MIHMZYJDOBSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-18(2,3)15-10-11-17(19)14(12-15)13-20(4)16-8-6-5-7-9-16/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 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-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63483790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).