(3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine

C20H35N — CID 87699907

IUPAC(3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine
SMILESC=C/C=C\C(N)CC/C=C\CCCC/C=C\CCCCC
InChIInChI=1S/C20H35N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h4,6,9-10,15-16,18,20H,2-3,5,7-8,11-14,17,19,21H2,1H3/b10-9-,16-15-,18-6-
InChIKeyGSXGPFYIYSKGCC-BTCMSBQQSA-N
MW289.51 g/mol
LogP6.09
Rot. Bonds14

About (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine

(3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine (PubChem CID 87699907) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine.

Molecular Properties

Compound Name(3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine
PubChem CID87699907
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine
SMILESC=C/C=C\C(N)CC/C=C\CCCC/C=C\CCCCC
InChIInChI=1S/C20H35N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h4,6,9-10,15-16,18,20H,2-3,5,7-8,11-14,17,19,21H2,1H3/b10-9-,16-15-,18-6-
InChIKeyGSXGPFYIYSKGCC-BTCMSBQQSA-N
XLogP6.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.09
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 10443078
CID 10443078
CID 11117250
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CID 162852825
CID 162852825
CID 162884434
CID 162884434
CID 163188609
CID 163188609
CID 10955476
CID 10955476
CID 10732198
CID 10732198
CID 54161775
CID 54161775
CID 88768699
CID 88768699
CID 91551695
CID 91551695
CID 129670979
CID 129670979
CID 14864064
CID 14864064

Frequently Asked Questions

What is the IUPAC name of (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine?
The IUPAC name of (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine (CID 87699907) is (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine.
What is the SMILES notation for (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine?
The canonical SMILES for (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine is C=C/C=C\C(N)CC/C=C\CCCC/C=C\CCCCC.
What is the InChIKey of (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine?
The InChIKey is GSXGPFYIYSKGCC-BTCMSBQQSA-N. The full InChI is InChI=1S/C20H35N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h4,6,9-10,15-16,18,20H,2-3,5,7-8,11-14,17,19,21H2,1H3/b10-9-,16-15-,18-6-.
What are the key properties of (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine?
(3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine has a molecular weight of 289.51 g/mol, XLogP of 6.09, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z,14Z)-icosa-1,3,8,14-tetraen-5-amine is sourced from PubChem (CID 87699907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).