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

C17H35N3 — CID 63610527

IUPACN-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H35N3/c1-13(2)14-7-8-15(18-5)16(11-14)20-10-9-19(6)17(3,4)12-20/h13-16,18H,7-12H2,1-6H3
InChIKeyLSKDQDFBHHJCQG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds3

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

N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 63610527) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID63610527
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H35N3/c1-13(2)14-7-8-15(18-5)16(11-14)20-10-9-19(6)17(3,4)12-20/h13-16,18H,7-12H2,1-6H3
InChIKeyLSKDQDFBHHJCQG-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-propan-2-yl-2-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 62703140
N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63608607
2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63467827
2-(3-methoxy-4-methylpiperidin-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 102965364
N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999932
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63218407
trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734745
2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62702986
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673
2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62703898
4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 63636104

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine (CID 63610527) is N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine is CNC1CCC(C(C)C)CC1N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is LSKDQDFBHHJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-13(2)14-7-8-15(18-5)16(11-14)20-10-9-19(6)17(3,4)12-20/h13-16,18H,7-12H2,1-6H3.
What are the key properties of N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine?
N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 63610527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).