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

C12H27N3 — CID 62437742

IUPAC2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)N1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-11(10-13-12(2,3)4)15-8-6-14(5)7-9-15/h11,13H,6-10H2,1-5H3
InChIKeyNBROLISNJOQKEM-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds3

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

2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine (PubChem CID 62437742) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
PubChem CID62437742
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)N1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-11(10-13-12(2,3)4)15-8-6-14(5)7-9-15/h11,13H,6-10H2,1-5H3
InChIKeyNBROLISNJOQKEM-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
CID 62556778
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
N-[2-(4-methylpiperazin-1-yl)propyl]formamide
CID 87675606
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62418612
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
CID 55070081
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
2-methyl-N-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]propan-2-amine
CID 106316612
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507
2-(4-methyl-1,4-diazepan-1-yl)-N-prop-2-ynylpropan-1-amine
CID 62558175
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)guanidine
CID 111179110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine (CID 62437742) is 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine is CC(CNC(C)(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine?
The InChIKey is NBROLISNJOQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(10-13-12(2,3)4)15-8-6-14(5)7-9-15/h11,13H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine?
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 3 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]propan-2-amine is sourced from PubChem (CID 62437742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).