N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C16H33N3 — CID 62708673

IUPACN-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN1CCN(C)CC1
InChIInChI=1S/C16H33N3/c1-13(2)14-5-6-16(17-3)15(11-14)12-19-9-7-18(4)8-10-19/h13-17H,5-12H2,1-4H3
InChIKeyTZIKSHLBRGDLHS-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62708673) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62708673
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN1CCN(C)CC1
InChIInChI=1S/C16H33N3/c1-13(2)14-5-6-16(17-3)15(11-14)12-19-9-7-18(4)8-10-19/h13-17H,5-12H2,1-4H3
InChIKeyTZIKSHLBRGDLHS-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62708673) is N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CN1CCN(C)CC1.
What is the InChIKey of N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is TZIKSHLBRGDLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)14-5-6-16(17-3)15(11-14)12-19-9-7-18(4)8-10-19/h13-17H,5-12H2,1-4H3.
What are the key properties of N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62708673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).