N-(3-piperazin-1-ylpropyl)hexan-1-amine

C13H29N3 — CID 135182222

IUPACN-(3-piperazin-1-ylpropyl)hexan-1-amine
SMILESCCCCCCNCCCN1CCNCC1
InChIInChI=1S/C13H29N3/c1-2-3-4-5-7-14-8-6-11-16-12-9-15-10-13-16/h14-15H,2-13H2,1H3
InChIKeyQOSIZUYJPFBLSZ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.45
Rot. Bonds9

About N-(3-piperazin-1-ylpropyl)hexan-1-amine

N-(3-piperazin-1-ylpropyl)hexan-1-amine (PubChem CID 135182222) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)hexan-1-amine
PubChem CID135182222
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-(3-piperazin-1-ylpropyl)hexan-1-amine
SMILESCCCCCCNCCCN1CCNCC1
InChIInChI=1S/C13H29N3/c1-2-3-4-5-7-14-8-6-11-16-12-9-15-10-13-16/h14-15H,2-13H2,1H3
InChIKeyQOSIZUYJPFBLSZ-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
1-tricosylpiperazine
CID 130183651
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
CID 157305429
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)hexan-1-amine?
The IUPAC name of N-(3-piperazin-1-ylpropyl)hexan-1-amine (CID 135182222) is N-(3-piperazin-1-ylpropyl)hexan-1-amine.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)hexan-1-amine?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)hexan-1-amine is CCCCCCNCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)hexan-1-amine?
The InChIKey is QOSIZUYJPFBLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-2-3-4-5-7-14-8-6-11-16-12-9-15-10-13-16/h14-15H,2-13H2,1H3.
What are the key properties of N-(3-piperazin-1-ylpropyl)hexan-1-amine?
N-(3-piperazin-1-ylpropyl)hexan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)hexan-1-amine is sourced from PubChem (CID 135182222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).