(12Z)-henicosa-3,12-dien-4-amine

C21H41N — CID 173278495

IUPAC(12Z)-henicosa-3,12-dien-4-amine
SMILESCCC=C(N)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(22)19-4-2/h11-12,19H,3-10,13-18,20,22H2,1-2H3/b12-11-,21-19?
InChIKeyNRVUQEREQZAWKO-OWVLHKHXSA-N
MW307.57 g/mol
LogP7.28
Rot. Bonds16

About (12Z)-henicosa-3,12-dien-4-amine

(12Z)-henicosa-3,12-dien-4-amine (PubChem CID 173278495) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is (12Z)-henicosa-3,12-dien-4-amine.

Molecular Properties

Compound Name(12Z)-henicosa-3,12-dien-4-amine
PubChem CID173278495
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name(12Z)-henicosa-3,12-dien-4-amine
SMILESCCC=C(N)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(22)19-4-2/h11-12,19H,3-10,13-18,20,22H2,1-2H3/b12-11-,21-19?
InChIKeyNRVUQEREQZAWKO-OWVLHKHXSA-N
XLogP7.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.28
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

(Z)-dodec-3-en-4-amine
CID 21249690
(E)-octadec-9-en-9-amine
CID 146566069
dodec-2-ene-1,3-diamine
CID 173393775
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-9-enamide
CID 75990485
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
(Z)-octadec-9-enamide;platinum
CID 174872668
indigane;(Z)-octadec-9-enamide
CID 174921402

Frequently Asked Questions

What is the IUPAC name of (12Z)-henicosa-3,12-dien-4-amine?
The IUPAC name of (12Z)-henicosa-3,12-dien-4-amine (CID 173278495) is (12Z)-henicosa-3,12-dien-4-amine.
What is the SMILES notation for (12Z)-henicosa-3,12-dien-4-amine?
The canonical SMILES for (12Z)-henicosa-3,12-dien-4-amine is CCC=C(N)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (12Z)-henicosa-3,12-dien-4-amine?
The InChIKey is NRVUQEREQZAWKO-OWVLHKHXSA-N. The full InChI is InChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(22)19-4-2/h11-12,19H,3-10,13-18,20,22H2,1-2H3/b12-11-,21-19?.
What are the key properties of (12Z)-henicosa-3,12-dien-4-amine?
(12Z)-henicosa-3,12-dien-4-amine has a molecular weight of 307.57 g/mol, XLogP of 7.28, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-henicosa-3,12-dien-4-amine is sourced from PubChem (CID 173278495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).