(5S)-pentadeca-1,8,9-trien-5-amine

C15H27N — CID 10889473

IUPAC(5S)-pentadeca-1,8,9-trien-5-amine
SMILESC=CCC[C@H](N)CCC=C=CCCCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-9-10-11-12-14-15(16)13-6-4-2/h4,9,11,15H,2-3,5-8,12-14,16H2,1H3/t10?,15-/m0/s1
InChIKeyAEGCZQKPSBMKEK-WRXSAAJRSA-N
MW221.39 g/mol
LogP4.35
Rot. Bonds10

About (5S)-pentadeca-1,8,9-trien-5-amine

(5S)-pentadeca-1,8,9-trien-5-amine (PubChem CID 10889473) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (5S)-pentadeca-1,8,9-trien-5-amine.

Molecular Properties

Compound Name(5S)-pentadeca-1,8,9-trien-5-amine
PubChem CID10889473
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(5S)-pentadeca-1,8,9-trien-5-amine
SMILESC=CCC[C@H](N)CCC=C=CCCCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-9-10-11-12-14-15(16)13-6-4-2/h4,9,11,15H,2-3,5-8,12-14,16H2,1H3/t10?,15-/m0/s1
InChIKeyAEGCZQKPSBMKEK-WRXSAAJRSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dec-9-en-1-amine
CID 11378628
Undec-10-en-1-amine
CID 11768976
5-Hexen-2-amine
CID 202050
Hept-6-en-2-amine
CID 54516059
Hex-5-en-2-amine hydrochloride
CID 85972458
1,8-Nonadiene-5-ylamine
CID 11400817
Oct-7-en-1-amine
CID 12878169
Dodec-1-en-4-amine
CID 14711916
4,5-Diamino-1,7-octadiene
CID 18628866
8-Nonen-4-amine
CID 24795685
Dodec-11-en-3-amine
CID 53953798
8-Nonen-1-amine
CID 54054691

Frequently Asked Questions

What is the IUPAC name of (5S)-pentadeca-1,8,9-trien-5-amine?
The IUPAC name of (5S)-pentadeca-1,8,9-trien-5-amine (CID 10889473) is (5S)-pentadeca-1,8,9-trien-5-amine.
What is the SMILES notation for (5S)-pentadeca-1,8,9-trien-5-amine?
The canonical SMILES for (5S)-pentadeca-1,8,9-trien-5-amine is C=CCC[C@H](N)CCC=C=CCCCCC.
What is the InChIKey of (5S)-pentadeca-1,8,9-trien-5-amine?
The InChIKey is AEGCZQKPSBMKEK-WRXSAAJRSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-8-9-10-11-12-14-15(16)13-6-4-2/h4,9,11,15H,2-3,5-8,12-14,16H2,1H3/t10?,15-/m0/s1.
What are the key properties of (5S)-pentadeca-1,8,9-trien-5-amine?
(5S)-pentadeca-1,8,9-trien-5-amine has a molecular weight of 221.39 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-pentadeca-1,8,9-trien-5-amine is sourced from PubChem (CID 10889473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).