N-pentyl-6-piperazin-1-ylhexan-1-amine

C15H33N3 — CID 54403619

IUPACN-pentyl-6-piperazin-1-ylhexan-1-amine
SMILESCCCCCNCCCCCCN1CCNCC1
InChIInChI=1S/C15H33N3/c1-2-3-6-9-16-10-7-4-5-8-13-18-14-11-17-12-15-18/h16-17H,2-15H2,1H3
InChIKeyGNGNOPHLTJJKDL-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.23
Rot. Bonds11

About N-pentyl-6-piperazin-1-ylhexan-1-amine

N-pentyl-6-piperazin-1-ylhexan-1-amine (PubChem CID 54403619) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-pentyl-6-piperazin-1-ylhexan-1-amine.

Molecular Properties

Compound NameN-pentyl-6-piperazin-1-ylhexan-1-amine
PubChem CID54403619
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-pentyl-6-piperazin-1-ylhexan-1-amine
SMILESCCCCCNCCCCCCN1CCNCC1
InChIInChI=1S/C15H33N3/c1-2-3-6-9-16-10-7-4-5-8-13-18-14-11-17-12-15-18/h16-17H,2-15H2,1H3
InChIKeyGNGNOPHLTJJKDL-UHFFFAOYSA-N
XLogP2.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.23
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)hexan-1-amine
CID 135182222
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
1-tricosylpiperazine
CID 130183651
ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
CID 157305429
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
zinc;1-hexadecyl-1,4,7,10-tetrazacyclododecane;hydroxide;perchlorate
CID 11071941

Frequently Asked Questions

What is the IUPAC name of N-pentyl-6-piperazin-1-ylhexan-1-amine?
The IUPAC name of N-pentyl-6-piperazin-1-ylhexan-1-amine (CID 54403619) is N-pentyl-6-piperazin-1-ylhexan-1-amine.
What is the SMILES notation for N-pentyl-6-piperazin-1-ylhexan-1-amine?
The canonical SMILES for N-pentyl-6-piperazin-1-ylhexan-1-amine is CCCCCNCCCCCCN1CCNCC1.
What is the InChIKey of N-pentyl-6-piperazin-1-ylhexan-1-amine?
The InChIKey is GNGNOPHLTJJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-2-3-6-9-16-10-7-4-5-8-13-18-14-11-17-12-15-18/h16-17H,2-15H2,1H3.
What are the key properties of N-pentyl-6-piperazin-1-ylhexan-1-amine?
N-pentyl-6-piperazin-1-ylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-6-piperazin-1-ylhexan-1-amine is sourced from PubChem (CID 54403619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).