(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine

C14H24N2 — CID 91426030

IUPAC(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
SMILESC=C(C)/C=C(/CCNCC)C(=C)N=C(C)C
InChIInChI=1S/C14H24N2/c1-7-15-9-8-14(10-11(2)3)13(6)16-12(4)5/h10,15H,2,6-9H2,1,3-5H3/b14-10-
InChIKeyVJFYONKEUBOIOG-UVTDQMKNSA-N
MW220.36 g/mol
LogP3.48
Rot. Bonds7

About (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine

(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine (PubChem CID 91426030) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
PubChem CID91426030
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
SMILESC=C(C)/C=C(/CCNCC)C(=C)N=C(C)C
InChIInChI=1S/C14H24N2/c1-7-15-9-8-14(10-11(2)3)13(6)16-12(4)5/h10,15H,2,6-9H2,1,3-5H3/b14-10-
InChIKeyVJFYONKEUBOIOG-UVTDQMKNSA-N
XLogP3.48
TPSA24.39 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(4E)-3-(4-fluorocyclobuta-1,3-dien-1-yl)imino-N',2,5-trimethylhepta-1,4-diene-1,7-diamine
CID 174027021
Hexahydroazonino[5,6-b]indole
CID 129799442
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
N'-[7-(4-aminobutylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]butane-1,4-diamine
CID 101917798
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
4-diazo-N-ethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 21288837

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine (CID 91426030) is (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine is C=C(C)/C=C(/CCNCC)C(=C)N=C(C)C.
What is the InChIKey of (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine?
The InChIKey is VJFYONKEUBOIOG-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-15-9-8-14(10-11(2)3)13(6)16-12(4)5/h10,15H,2,6-9H2,1,3-5H3/b14-10-.
What are the key properties of (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine?
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 91426030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).