N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine

C15H31N3 — CID 63620169

IUPACN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCN2CCN(C)C(C)C2)C1
InChIInChI=1S/C15H31N3/c1-13-5-4-6-15(11-13)16-7-8-18-10-9-17(3)14(2)12-18/h13-16H,4-12H2,1-3H3
InChIKeyPWAQFTVTRJZKHT-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine

N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 63620169) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID63620169
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCN2CCN(C)C(C)C2)C1
InChIInChI=1S/C15H31N3/c1-13-5-4-6-15(11-13)16-7-8-18-10-9-17(3)14(2)12-18/h13-16H,4-12H2,1-3H3
InChIKeyPWAQFTVTRJZKHT-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine (CID 63620169) is N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCCN2CCN(C)C(C)C2)C1.
What is the InChIKey of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is PWAQFTVTRJZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-5-4-6-15(11-13)16-7-8-18-10-9-17(3)14(2)12-18/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63620169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).