2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine

C13H29N3 — CID 62556778

IUPAC2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-6-13(3,4)14-11-12(2)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyAUNJWIGBMBZBAC-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine

2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine (PubChem CID 62556778) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
PubChem CID62556778
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-6-13(3,4)14-11-12(2)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyAUNJWIGBMBZBAC-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine (CID 62556778) is 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine is CCC(C)(C)NCC(C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine?
The InChIKey is AUNJWIGBMBZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-13(3,4)14-11-12(2)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine?
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine is sourced from PubChem (CID 62556778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).