3-piperazin-1-yl-3-propylhexan-1-amine

C13H29N3 — CID 174733050

IUPAC3-piperazin-1-yl-3-propylhexan-1-amine
SMILESCCCC(CCC)(CCN)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-3-5-13(6-4-2,7-8-14)16-11-9-15-10-12-16/h15H,3-12,14H2,1-2H3
InChIKeyFENUPGCVNUPHKH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.58
Rot. Bonds7

About 3-piperazin-1-yl-3-propylhexan-1-amine

3-piperazin-1-yl-3-propylhexan-1-amine (PubChem CID 174733050) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-piperazin-1-yl-3-propylhexan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-3-propylhexan-1-amine
PubChem CID174733050
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-piperazin-1-yl-3-propylhexan-1-amine
SMILESCCCC(CCC)(CCN)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-3-5-13(6-4-2,7-8-14)16-11-9-15-10-12-16/h15H,3-12,14H2,1-2H3
InChIKeyFENUPGCVNUPHKH-UHFFFAOYSA-N
XLogP1.58
TPSA41.29 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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylheptan-4-yl)aziridine
CID 3049110
2-propyl-2-pyrrolidin-1-ylpentan-1-amine
CID 24709815
2,4-dimethyl-4-piperazin-1-ylpentan-2-amine
CID 154551256
methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792
2-piperazin-1-ylpropan-2-amine
CID 54235590
1-(3-ethylhexan-3-yl)piperidine
CID 156519232
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
2-(1,4-diazepan-1-yl)-2-propylpentanamide
CID 61005752
ethyl 2-methyl-2-piperazin-1-ylnonanoate
CID 61002741
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
2-methyl-2-piperazin-1-ylheptanenitrile
CID 80557403
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-3-propylhexan-1-amine?
The IUPAC name of 3-piperazin-1-yl-3-propylhexan-1-amine (CID 174733050) is 3-piperazin-1-yl-3-propylhexan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-3-propylhexan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-3-propylhexan-1-amine is CCCC(CCC)(CCN)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-3-propylhexan-1-amine?
The InChIKey is FENUPGCVNUPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-5-13(6-4-2,7-8-14)16-11-9-15-10-12-16/h15H,3-12,14H2,1-2H3.
What are the key properties of 3-piperazin-1-yl-3-propylhexan-1-amine?
3-piperazin-1-yl-3-propylhexan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-3-propylhexan-1-amine is sourced from PubChem (CID 174733050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).