2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine

C13H29N3 — CID 115238815

IUPAC2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)(C)CNCC1CN(C)CCN1
InChIInChI=1S/C13H29N3/c1-11(2)13(3,4)10-14-8-12-9-16(5)7-6-15-12/h11-12,14-15H,6-10H2,1-5H3
InChIKeyXKIUXPAXSOVIQG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.16
Rot. Bonds5

About 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine

2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine (PubChem CID 115238815) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine
PubChem CID115238815
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)(C)CNCC1CN(C)CCN1
InChIInChI=1S/C13H29N3/c1-11(2)13(3,4)10-14-8-12-9-16(5)7-6-15-12/h11-12,14-15H,6-10H2,1-5H3
InChIKeyXKIUXPAXSOVIQG-UHFFFAOYSA-N
XLogP1.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2-pyridin-3-ylpropan-1-amine
CID 115238821
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
CID 115238599
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
CID 115239467
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine (CID 115238815) is 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine is CC(C)C(C)(C)CNCC1CN(C)CCN1.
What is the InChIKey of 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine?
The InChIKey is XKIUXPAXSOVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)13(3,4)10-14-8-12-9-16(5)7-6-15-12/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine?
2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115238815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).