3-(4-butylpiperazin-1-yl)propan-1-amine

C11H25N3 — CID 15485218

IUPAC3-(4-butylpiperazin-1-yl)propan-1-amine
SMILESCCCCN1CCN(CCCN)CC1
InChIInChI=1S/C11H25N3/c1-2-3-6-13-8-10-14(11-9-13)7-4-5-12/h2-12H2,1H3
InChIKeyWBKNTZBBWJPZOU-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds6

About 3-(4-butylpiperazin-1-yl)propan-1-amine

3-(4-butylpiperazin-1-yl)propan-1-amine (PubChem CID 15485218) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(4-butylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-butylpiperazin-1-yl)propan-1-amine
PubChem CID15485218
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-(4-butylpiperazin-1-yl)propan-1-amine
SMILESCCCCN1CCN(CCCN)CC1
InChIInChI=1S/C11H25N3/c1-2-3-6-13-8-10-14(11-9-13)7-4-5-12/h2-12H2,1H3
InChIKeyWBKNTZBBWJPZOU-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylaziridine
CID 544653
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
CID 168901441
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-butylpiperazin-1-yl)propan-1-amine (CID 15485218) is 3-(4-butylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-butylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-butylpiperazin-1-yl)propan-1-amine is CCCCN1CCN(CCCN)CC1.
What is the InChIKey of 3-(4-butylpiperazin-1-yl)propan-1-amine?
The InChIKey is WBKNTZBBWJPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-2-3-6-13-8-10-14(11-9-13)7-4-5-12/h2-12H2,1H3.
What are the key properties of 3-(4-butylpiperazin-1-yl)propan-1-amine?
3-(4-butylpiperazin-1-yl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 15485218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).