acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine

C19H33N3 — CID 143346049

IUPACacetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
SMILESC=C(N)C/N=C(C)/C=C/CCCC(C)C(C)/C=C\C.CC#N
InChIInChI=1S/C17H30N2.C2H3N/c1-6-10-14(2)15(3)11-8-7-9-12-17(5)19-13-16(4)18;1-2-3/h6,9-10,12,14-15H,4,7-8,11,13,18H2,1-3,5H3;1H3/b10-6-,12-9+,19-17+;
InChIKeyNVKYUORWIDVRHY-SIWKHAIZSA-N
MW303.49 g/mol
LogP5.02
Rot. Bonds9

About acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine

acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (PubChem CID 143346049) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Nameacetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
PubChem CID143346049
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Nameacetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
SMILESC=C(N)C/N=C(C)/C=C/CCCC(C)C(C)/C=C\C.CC#N
InChIInChI=1S/C17H30N2.C2H3N/c1-6-10-14(2)15(3)11-8-7-9-12-17(5)19-13-16(4)18;1-2-3/h6,9-10,12,14-15H,4,7-8,11,13,18H2,1-3,5H3;1H3/b10-6-,12-9+,19-17+;
InChIKeyNVKYUORWIDVRHY-SIWKHAIZSA-N
XLogP5.02
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346157
3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346050
3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346158

Frequently Asked Questions

What is the IUPAC name of acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The IUPAC name of acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (CID 143346049) is acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The canonical SMILES for acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is C=C(N)C/N=C(C)/C=C/CCCC(C)C(C)/C=C\C.CC#N.
What is the InChIKey of acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The InChIKey is NVKYUORWIDVRHY-SIWKHAIZSA-N. The full InChI is InChI=1S/C17H30N2.C2H3N/c1-6-10-14(2)15(3)11-8-7-9-12-17(5)19-13-16(4)18;1-2-3/h6,9-10,12,14-15H,4,7-8,11,13,18H2,1-3,5H3;1H3/b10-6-,12-9+,19-17+;.
What are the key properties of acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine has a molecular weight of 303.49 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 143346049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).