N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine

C13H29N3 — CID 80551253

IUPACN-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
SMILESCCC(C)N(C)CC(C)(C)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-6-12(2)15(5)11-13(3,4)16-9-7-14-8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyHPPZFQQXDYWSKW-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds5

About N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine

N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 80551253) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
PubChem CID80551253
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
SMILESCCC(C)N(C)CC(C)(C)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-6-12(2)15(5)11-13(3,4)16-9-7-14-8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyHPPZFQQXDYWSKW-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpiperazine
CID 66057
2,5-Dimethylpiperazine
CID 7816
1-Isopropylpiperazine
CID 78013
2,5-Dimethylpiperazine, trans-
CID 220672
2-Amino-1,1-dimethylethylisopropylamine
CID 79532
1-(2-Methylpropyl)piperazine
CID 2052052
2,3,5,6-Tetramethylpiperazine
CID 521970
2,6-Dimethylpiperazine
CID 66056
1-Isopropyl-piperazine hydrochloride
CID 16188447
Dimethylpiperazine
CID 198037
1-Butylpiperazine
CID 424322
2-Methylpiperazine, (S)-
CID 2734219

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine (CID 80551253) is N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine is CCC(C)N(C)CC(C)(C)N1CCNCC1.
What is the InChIKey of N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is HPPZFQQXDYWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-12(2)15(5)11-13(3,4)16-9-7-14-8-10-16/h12,14H,6-11H2,1-5H3.
What are the key properties of N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 80551253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).