[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine

C17H34N2 — CID 103440748

IUPAC[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(C2CCC(C(C)(C)C)CC2)C(CN)C1
InChIInChI=1S/C17H34N2/c1-13-9-10-19(16(11-13)12-18)15-7-5-14(6-8-15)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyURMWQEBJEDNQMD-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds2

About [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine

[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440748) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine
PubChem CID103440748
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(C2CCC(C(C)(C)C)CC2)C(CN)C1
InChIInChI=1S/C17H34N2/c1-13-9-10-19(16(11-13)12-18)15-7-5-14(6-8-15)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyURMWQEBJEDNQMD-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine
CID 103440780
[1-(3,3-dimethylcyclopentyl)-4-methylpiperidin-2-yl]methanamine
CID 103440477
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63403927
1-cyclopentyl-2-ethyl-4-methylpiperidine
CID 59900610
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
1-(4-tert-butylcyclohexyl)-7-methyl-1,4-diazepane
CID 82245094
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
CID 103440507
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine (CID 103440748) is [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine is CC1CCN(C2CCC(C(C)(C)C)CC2)C(CN)C1.
What is the InChIKey of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is URMWQEBJEDNQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-9-10-19(16(11-13)12-18)15-7-5-14(6-8-15)17(2,3)4/h13-16H,5-12,18H2,1-4H3.
What are the key properties of [1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine?
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 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-2-yl]methanamine is sourced from PubChem (CID 103440748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).