N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine

C13H29N3 — CID 115239639

IUPACN,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
SMILESCC(C)CCN(C)CCC1CNCCN1C
InChIInChI=1S/C13H29N3/c1-12(2)5-8-15(3)9-6-13-11-14-7-10-16(13)4/h12-14H,5-11H2,1-4H3
InChIKeyYGVYXMRKFGCUMW-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine

N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine (PubChem CID 115239639) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
PubChem CID115239639
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
SMILESCC(C)CCN(C)CCC1CNCCN1C
InChIInChI=1S/C13H29N3/c1-12(2)5-8-15(3)9-6-13-11-14-7-10-16(13)4/h12-14H,5-11H2,1-4H3
InChIKeyYGVYXMRKFGCUMW-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115239656
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 115239646
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
CID 115239598
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
CID 115177823
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine
CID 23090509
N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
CID 142067796
N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
CID 139528374
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine (CID 115239639) is N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine is CC(C)CCN(C)CCC1CNCCN1C.
What is the InChIKey of N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine?
The InChIKey is YGVYXMRKFGCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)5-8-15(3)9-6-13-11-14-7-10-16(13)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine?
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 115239639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).