2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine

C16H33N3 — CID 64775564

IUPAC2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCCN2CCN(C)CC2)C1C
InChIInChI=1S/C16H33N3/c1-14-6-4-7-16(15(14)2)17-8-5-9-19-12-10-18(3)11-13-19/h14-17H,4-13H2,1-3H3
InChIKeyKUSJZPLWAUGINM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine

2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine (PubChem CID 64775564) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
PubChem CID64775564
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCCN2CCN(C)CC2)C1C
InChIInChI=1S/C16H33N3/c1-14-6-4-7-16(15(14)2)17-8-5-9-19-12-10-18(3)11-13-19/h14-17H,4-13H2,1-3H3
InChIKeyKUSJZPLWAUGINM-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 43181783
1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 43665481
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
CID 113259931
1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
CID 175787085
2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
CID 64774982
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
2,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-amine
CID 83014930

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine (CID 64775564) is 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine is CC1CCCC(NCCCN2CCN(C)CC2)C1C.
What is the InChIKey of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is KUSJZPLWAUGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14-6-4-7-16(15(14)2)17-8-5-9-19-12-10-18(3)11-13-19/h14-17H,4-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 64775564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).