[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine

C18H36N2 — CID 63404551

IUPAC[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCCN(C2CC(C(C)(C)C)CCC2CN)C1C
InChIInChI=1S/C18H36N2/c1-13-7-6-10-20(14(13)2)17-11-16(18(3,4)5)9-8-15(17)12-19/h13-17H,6-12,19H2,1-5H3
InChIKeyJWBLGPCRCZOQTI-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds2

About [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine

[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 63404551) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID63404551
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCCN(C2CC(C(C)(C)C)CCC2CN)C1C
InChIInChI=1S/C18H36N2/c1-13-7-6-10-20(14(13)2)17-11-16(18(3,4)5)9-8-15(17)12-19/h13-17H,6-12,19H2,1-5H3
InChIKeyJWBLGPCRCZOQTI-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine (CID 63404551) is [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine is CC1CCCN(C2CC(C(C)(C)C)CCC2CN)C1C.
What is the InChIKey of [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is JWBLGPCRCZOQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-13-7-6-10-20(14(13)2)17-11-16(18(3,4)5)9-8-15(17)12-19/h13-17H,6-12,19H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine?
[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 63404551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).