(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine

C14H24N2 — CID 170390594

IUPAC(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine
SMILESCC/C=C(/C)C/C=C\C(C)C/N=C/C=C\N
InChIInChI=1S/C14H24N2/c1-4-7-13(2)8-5-9-14(3)12-16-11-6-10-15/h5-7,9-11,14H,4,8,12,15H2,1-3H3/b9-5-,10-6-,13-7-,16-11+
InChIKeyOENYBRYPHIJQAO-BVHCBWLMSA-N
MW220.36 g/mol
LogP3.47
Rot. Bonds7

About (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine

(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine (PubChem CID 170390594) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine
PubChem CID170390594
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine
SMILESCC/C=C(/C)C/C=C\C(C)C/N=C/C=C\N
InChIInChI=1S/C14H24N2/c1-4-7-13(2)8-5-9-14(3)12-16-11-6-10-15/h5-7,9-11,14H,4,8,12,15H2,1-3H3/b9-5-,10-6-,13-7-,16-11+
InChIKeyOENYBRYPHIJQAO-BVHCBWLMSA-N
XLogP3.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine (CID 170390594) is (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine is CC/C=C(/C)C/C=C\C(C)C/N=C/C=C\N.
What is the InChIKey of (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine?
The InChIKey is OENYBRYPHIJQAO-BVHCBWLMSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-13(2)8-5-9-14(3)12-16-11-6-10-15/h5-7,9-11,14H,4,8,12,15H2,1-3H3/b9-5-,10-6-,13-7-,16-11+.
What are the key properties of (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine?
(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine is sourced from PubChem (CID 170390594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).