(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine

C14H21N3 — CID 118213495

IUPAC(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
SMILESC=C(N)C(/N=C/C)=C(C)\C=C(N)\C=C/C=C\C
InChIInChI=1S/C14H21N3/c1-5-7-8-9-13(16)10-11(3)14(12(4)15)17-6-2/h5-10H,4,15-16H2,1-3H3/b7-5-,9-8-,13-10-,14-11+,17-6+
InChIKeyNPIXUMOUXQXHPD-MOSCUHDNSA-N
MW231.34 g/mol
LogP2.80
Rot. Bonds5

About (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine

(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine (PubChem CID 118213495) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine.

Molecular Properties

Compound Name(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
PubChem CID118213495
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
SMILESC=C(N)C(/N=C/C)=C(C)\C=C(N)\C=C/C=C\C
InChIInChI=1S/C14H21N3/c1-5-7-8-9-13(16)10-11(3)14(12(4)15)17-6-2/h5-10H,4,15-16H2,1-3H3/b7-5-,9-8-,13-10-,14-11+,17-6+
InChIKeyNPIXUMOUXQXHPD-MOSCUHDNSA-N
XLogP2.80
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine with MolForge

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Related Compounds

(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
CID 137410374
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
1-(3-Fluoroprop-1-en-2-ylimino)-4-methylhexa-2,4-diene-2,5-diamine
CID 173718866
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyridin-3-amine
CID 87171102
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine
CID 89046003
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
CID 89112517
N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]prop-2-en-1-imine
CID 89278502
N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]ethanimine
CID 89502557
N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
CID 90909232
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine?
The IUPAC name of (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine (CID 118213495) is (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine.
What is the SMILES notation for (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine?
The canonical SMILES for (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine is C=C(N)C(/N=C/C)=C(C)\C=C(N)\C=C/C=C\C.
What is the InChIKey of (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine?
The InChIKey is NPIXUMOUXQXHPD-MOSCUHDNSA-N. The full InChI is InChI=1S/C14H21N3/c1-5-7-8-9-13(16)10-11(3)14(12(4)15)17-6-2/h5-10H,4,15-16H2,1-3H3/b7-5-,9-8-,13-10-,14-11+,17-6+.
What are the key properties of (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine?
(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine is sourced from PubChem (CID 118213495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).