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

C12H27N3 — CID 3052885

IUPAC2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)C(CN)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3/c1-5-10(2)11(8-13)12-9-14(3)6-7-15(12)4/h10-12H,5-9,13H2,1-4H3
InChIKeyVGENMQHCQGVVME-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.85
Rot. Bonds4

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

2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine (PubChem CID 3052885) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine
PubChem CID3052885
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)C(CN)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3/c1-5-10(2)11(8-13)12-9-14(3)6-7-15(12)4/h10-12H,5-9,13H2,1-4H3
InChIKeyVGENMQHCQGVVME-UHFFFAOYSA-N
XLogP0.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine (CID 3052885) is 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine is CCC(C)C(CN)C1CN(C)CCN1C.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine?
The InChIKey is VGENMQHCQGVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-10(2)11(8-13)12-9-14(3)6-7-15(12)4/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine?
2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 3052885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).