[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine

C17H34N2 — CID 114960180

IUPAC[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C2CCC(C(C)(C)C)CC2)CC1CN
InChIInChI=1S/C17H34N2/c1-13-9-10-19(12-14(13)11-18)16-7-5-15(6-8-16)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyKLJXZITYCNEUGT-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.51
Rot. Bonds2

About [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine

[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960180) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114960180
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C2CCC(C(C)(C)C)CC2)CC1CN
InChIInChI=1S/C17H34N2/c1-13-9-10-19(12-14(13)11-18)16-7-5-15(6-8-16)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyKLJXZITYCNEUGT-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine (CID 114960180) is [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(C2CCC(C(C)(C)C)CC2)CC1CN.
What is the InChIKey of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is KLJXZITYCNEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-9-10-19(12-14(13)11-18)16-7-5-15(6-8-16)17(2,3)4/h13-16H,5-12,18H2,1-4H3.
What are the key properties of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine?
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).