2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine

C14H31N3 — CID 62775232

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine
SMILESCCC(C)N1CCN(C(CNC)C(C)C)CC1
InChIInChI=1S/C14H31N3/c1-6-13(4)16-7-9-17(10-8-16)14(11-15-5)12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyRYTNQGYMUWQPHZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine (PubChem CID 62775232) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine
PubChem CID62775232
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine
SMILESCCC(C)N1CCN(C(CNC)C(C)C)CC1
InChIInChI=1S/C14H31N3/c1-6-13(4)16-7-9-17(10-8-16)14(11-15-5)12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyRYTNQGYMUWQPHZ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62776257
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
CID 60761134
3-(4-butan-2-ylpiperazin-1-yl)butanenitrile
CID 62773827
N,3-dimethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-amine
CID 102746082
N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62773868
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432232
1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
CID 80999736
N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide
CID 130440772
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62418612

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine (CID 62775232) is 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine is CCC(C)N1CCN(C(CNC)C(C)C)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is RYTNQGYMUWQPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-13(4)16-7-9-17(10-8-16)14(11-15-5)12(2)3/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62775232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).