3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine

C16H26N2 — CID 143346158

IUPAC3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
SMILESC=CC(=C)C(C)CCC/C=C/C(C)=N/CC(=C)N
InChIInChI=1S/C16H26N2/c1-6-13(2)14(3)10-8-7-9-11-16(5)18-12-15(4)17/h6,9,11,14H,1-2,4,7-8,10,12,17H2,3,5H3/b11-9+,18-16+
InChIKeyZMWZGNKJXKLAOC-GEFYFZSISA-N
MW246.40 g/mol
LogP4.02
Rot. Bonds9

About 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine

3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (PubChem CID 143346158) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
PubChem CID143346158
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
SMILESC=CC(=C)C(C)CCC/C=C/C(C)=N/CC(=C)N
InChIInChI=1S/C16H26N2/c1-6-13(2)14(3)10-8-7-9-11-16(5)18-12-15(4)17/h6,9,11,14H,1-2,4,7-8,10,12,17H2,3,5H3/b11-9+,18-16+
InChIKeyZMWZGNKJXKLAOC-GEFYFZSISA-N
XLogP4.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.02
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

(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine
CID 89001112
6-[(6-Methylcyclohex-2-en-1-ylidene)amino]-3,4-dimethylidenecyclohexa-1,5-dien-1-amine
CID 124028589
(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine
CID 135254647
ethanamine;4-methylheptane;(E)-3-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 141877387
acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346049
ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346157
(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine
CID 155014926
(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
CID 166685339
5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine
CID 167058856
5-(2-ethylcyclopropyl)-2H-pyrrol-3-amine
CID 167058921
(Z)-5-[(3Z)-5-ethylocta-3,7-dienyl]imino-2-methylhex-3-en-3-amine
CID 169948600
(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine
CID 170276263

Frequently Asked Questions

What is the IUPAC name of 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The IUPAC name of 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (CID 143346158) is 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The canonical SMILES for 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is C=CC(=C)C(C)CCC/C=C/C(C)=N/CC(=C)N.
What is the InChIKey of 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The InChIKey is ZMWZGNKJXKLAOC-GEFYFZSISA-N. The full InChI is InChI=1S/C16H26N2/c1-6-13(2)14(3)10-8-7-9-11-16(5)18-12-15(4)17/h6,9,11,14H,1-2,4,7-8,10,12,17H2,3,5H3/b11-9+,18-16+.
What are the key properties of 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine has a molecular weight of 246.40 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 143346158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).