(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine

C10H19N3 — CID 142119048

IUPAC(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine
SMILES[H]/N=C(/C=C\C=C(/C)CCN)CCN
InChIInChI=1S/C10H19N3/c1-9(5-7-11)3-2-4-10(13)6-8-12/h2-4,13H,5-8,11-12H2,1H3/b4-2-,9-3+,13-10-
InChIKeyXVTRJHSBKBGHCN-JPTYCKRWSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds6

About (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine

(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine (PubChem CID 142119048) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine.

Molecular Properties

Compound Name(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine
PubChem CID142119048
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine
SMILES[H]/N=C(/C=C\C=C(/C)CCN)CCN
InChIInChI=1S/C10H19N3/c1-9(5-7-11)3-2-4-10(13)6-8-12/h2-4,13H,5-8,11-12H2,1H3/b4-2-,9-3+,13-10-
InChIKeyXVTRJHSBKBGHCN-JPTYCKRWSA-N
XLogP1.21
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine
CID 89129827
(4Z,6Z)-6-ethylocta-4,6-dien-3-imine
CID 89145523
(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine
CID 89379513
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
8-Iminonona-3,5-dien-2-amine
CID 90857903
(Z,3E)-3-propylideneoct-4-en-2-imine
CID 91245825
2-Cyclohexa-1,5-dien-1-yl-2-iminoethanamine
CID 118176547
(Z)-3-propan-2-ylidenehept-4-en-2-imine
CID 123190589
3-Ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine
CID 123559099

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine?
The IUPAC name of (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine (CID 142119048) is (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine.
What is the SMILES notation for (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine?
The canonical SMILES for (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine is [H]/N=C(/C=C\C=C(/C)CCN)CCN.
What is the InChIKey of (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine?
The InChIKey is XVTRJHSBKBGHCN-JPTYCKRWSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(5-7-11)3-2-4-10(13)6-8-12/h2-4,13H,5-8,11-12H2,1H3/b4-2-,9-3+,13-10-.
What are the key properties of (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine?
(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine is sourced from PubChem (CID 142119048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).