4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine

C16H33N3 — CID 114537762

IUPAC4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(N2CC(C)N(C)C(C)C2)C1
InChIInChI=1S/C16H33N3/c1-11(2)14-6-7-15(17)16(8-14)19-9-12(3)18(5)13(4)10-19/h11-16H,6-10,17H2,1-5H3
InChIKeyRKRMHXPNYOCFNF-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.16
Rot. Bonds2

About 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine

4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 114537762) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID114537762
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(N2CC(C)N(C)C(C)C2)C1
InChIInChI=1S/C16H33N3/c1-11(2)14-6-7-15(17)16(8-14)19-9-12(3)18(5)13(4)10-19/h11-16H,6-10,17H2,1-5H3
InChIKeyRKRMHXPNYOCFNF-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79938659
2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine
CID 114537803
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine
CID 79678858
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
1,2-dimethyl-4-propan-2-ylpyrrolidine
CID 142849409
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708595
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973
(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 177134539

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine (CID 114537762) is 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine is CC(C)C1CCC(N)C(N2CC(C)N(C)C(C)C2)C1.
What is the InChIKey of 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is RKRMHXPNYOCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-11(2)14-6-7-15(17)16(8-14)19-9-12(3)18(5)13(4)10-19/h11-16H,6-10,17H2,1-5H3.
What are the key properties of 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 114537762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).