4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine

C13H29N3 — CID 115239467

IUPAC4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCC1CN(C)CCN1
InChIInChI=1S/C13H29N3/c1-12(2)5-4-7-14-8-6-13-11-16(3)10-9-15-13/h12-15H,4-11H2,1-3H3
InChIKeyOWFQQRFISLPMNY-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.31
Rot. Bonds7

About 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine

4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine (PubChem CID 115239467) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
PubChem CID115239467
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCC1CN(C)CCN1
InChIInChI=1S/C13H29N3/c1-12(2)5-4-7-14-8-6-13-11-16(3)10-9-15-13/h12-15H,4-11H2,1-3H3
InChIKeyOWFQQRFISLPMNY-UHFFFAOYSA-N
XLogP1.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
1-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-4-amine
CID 115239353
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine
CID 115238815
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
N-[(4-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239419
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine (CID 115239467) is 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine is CC(C)CCCNCCC1CN(C)CCN1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine?
The InChIKey is OWFQQRFISLPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)5-4-7-14-8-6-13-11-16(3)10-9-15-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine?
4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 115239467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).