2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine

C12H25N3 — CID 63609475

IUPAC2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC1CN(C2CCCCC2N)CCN1C
InChIInChI=1S/C12H25N3/c1-10-9-15(8-7-14(10)2)12-6-4-3-5-11(12)13/h10-12H,3-9,13H2,1-2H3
InChIKeyKGJNOGOBGPMJDJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.89
Rot. Bonds1

About 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine

2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 63609475) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID63609475
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC1CN(C2CCCCC2N)CCN1C
InChIInChI=1S/C12H25N3/c1-10-9-15(8-7-14(10)2)12-6-4-3-5-11(12)13/h10-12H,3-9,13H2,1-2H3
InChIKeyKGJNOGOBGPMJDJ-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine (CID 63609475) is 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine is CC1CN(C2CCCCC2N)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is KGJNOGOBGPMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10-9-15(8-7-14(10)2)12-6-4-3-5-11(12)13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine?
2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 63609475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).