N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine

C20H40N2 — CID 58109911

IUPACN-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-19(2,3)21-18-9-7-16(8-10-18)15-17-11-13-22(14-12-17)20(4,5)6/h16-18,21H,7-15H2,1-6H3
InChIKeyHJDPPMBCOPBKNY-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.83
Rot. Bonds3

About N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine

N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 58109911) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine
PubChem CID58109911
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-19(2,3)21-18-9-7-16(8-10-18)15-17-11-13-22(14-12-17)20(4,5)6/h16-18,21H,7-15H2,1-6H3
InChIKeyHJDPPMBCOPBKNY-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine;hydrochloride
CID 90674839
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120
2-Cyclohexylpiperidine
CID 92439
4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475
1-(4-Methylcyclohexyl)piperidin-4-amine
CID 24699417
N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine dihydrochloride
CID 119057091
1-(4-Methylcyclohexyl)piperazine
CID 796165

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine (CID 58109911) is N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine is CC(C)(C)NC1CCC(CC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is HJDPPMBCOPBKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-19(2,3)21-18-9-7-16(8-10-18)15-17-11-13-22(14-12-17)20(4,5)6/h16-18,21H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine?
N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 58109911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).