2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine

C17H34N2 — CID 79065521

IUPAC2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)C1CCC(C)CC1)N1CCCCC1
InChIInChI=1S/C17H34N2/c1-4-17(3,19-12-6-5-7-13-19)16(18)15-10-8-14(2)9-11-15/h14-16H,4-13,18H2,1-3H3
InChIKeyODFZXDXVEJCJLW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds4

About 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine

2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine (PubChem CID 79065521) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
PubChem CID79065521
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)C1CCC(C)CC1)N1CCCCC1
InChIInChI=1S/C17H34N2/c1-4-17(3,19-12-6-5-7-13-19)16(18)15-10-8-14(2)9-11-15/h14-16H,4-13,18H2,1-3H3
InChIKeyODFZXDXVEJCJLW-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
CID 79906978
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
CID 79064997
2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
CID 79052643
ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
CID 102538625
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 82931304
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
(1-cyclohexyl-3-methyl-3-piperidin-1-ylpentan-2-yl)hydrazine
CID 105241297
1-cycloheptyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 82932107
[2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241067
2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 116757406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine (CID 79065521) is 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)C1CCC(C)CC1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
The InChIKey is ODFZXDXVEJCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-17(3,19-12-6-5-7-13-19)16(18)15-10-8-14(2)9-11-15/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79065521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).