N-(2-piperazin-1-ylethyl)hept-1-en-4-amine

C13H27N3 — CID 4712399

IUPACN-(2-piperazin-1-ylethyl)hept-1-en-4-amine
SMILESC=CCC(CCC)NCCN1CCNCC1
InChIInChI=1S/C13H27N3/c1-3-5-13(6-4-2)15-9-12-16-10-7-14-8-11-16/h3,13-15H,1,4-12H2,2H3
InChIKeyXLQBUGBMKLLNMF-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.23
Rot. Bonds8

About N-(2-piperazin-1-ylethyl)hept-1-en-4-amine

N-(2-piperazin-1-ylethyl)hept-1-en-4-amine (PubChem CID 4712399) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)hept-1-en-4-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)hept-1-en-4-amine
PubChem CID4712399
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-(2-piperazin-1-ylethyl)hept-1-en-4-amine
SMILESC=CCC(CCC)NCCN1CCNCC1
InChIInChI=1S/C13H27N3/c1-3-5-13(6-4-2)15-9-12-16-10-7-14-8-11-16/h3,13-15H,1,4-12H2,2H3
InChIKeyXLQBUGBMKLLNMF-UHFFFAOYSA-N
XLogP1.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
2-Methyl-6-(2-propenyl)piperidine
CID 68571453
2-(4-Pentenyl)-6-pentylpiperidine
CID 592515
5-fluoro-1-(2-fluorobut-3-enyl)-N-propan-2-ylpiperidin-3-amine
CID 169661365
1-(2-fluorobut-3-enyl)-N-propan-2-ylpiperidin-3-amine
CID 169661367
1-(5-Fluorohept-1-en-3-yl)piperazine
CID 174315995
cis-2-Methyl-6-(2-propenyl)piperidine
CID 129775628
1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine
CID 171276184

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)hept-1-en-4-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)hept-1-en-4-amine (CID 4712399) is N-(2-piperazin-1-ylethyl)hept-1-en-4-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)hept-1-en-4-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)hept-1-en-4-amine is C=CCC(CCC)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)hept-1-en-4-amine?
The InChIKey is XLQBUGBMKLLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-5-13(6-4-2)15-9-12-16-10-7-14-8-11-16/h3,13-15H,1,4-12H2,2H3.
What are the key properties of N-(2-piperazin-1-ylethyl)hept-1-en-4-amine?
N-(2-piperazin-1-ylethyl)hept-1-en-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)hept-1-en-4-amine is sourced from PubChem (CID 4712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).