[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine

C17H35N3 — CID 81320979

IUPAC[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC(C)N1CCN(C2(CN)CCC(C)(C)CC2C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)19-8-10-20(11-9-19)17(13-18)7-6-16(4,5)12-15(17)3/h14-15H,6-13,18H2,1-5H3
InChIKeyITDFBCYGCXRQNF-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds3

About [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine

[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 81320979) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
PubChem CID81320979
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC(C)N1CCN(C2(CN)CCC(C)(C)CC2C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)19-8-10-20(11-9-19)17(13-18)7-6-16(4,5)12-15(17)3/h14-15H,6-13,18H2,1-5H3
InChIKeyITDFBCYGCXRQNF-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-butan-2-ylpiperazin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81303249
[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321625
[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 81320512
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320901
[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 80706349
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320825
[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 81320897
[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663047
[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321303
[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663109
[1-methyl-3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 62977681
[1-(4-ethylpiperazin-1-yl)-2,4-dimethylcyclohexyl]methanamine
CID 64760736

Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine (CID 81320979) is [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine is CC(C)N1CCN(C2(CN)CCC(C)(C)CC2C)CC1.
What is the InChIKey of [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The InChIKey is ITDFBCYGCXRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)19-8-10-20(11-9-19)17(13-18)7-6-16(4,5)12-15(17)3/h14-15H,6-13,18H2,1-5H3.
What are the key properties of [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81320979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).