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

C17H30N2 — CID 143346050

IUPAC3-[[(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
InChIInChI=1S/C17H30N2/c1-6-10-14(2)15(3)11-8-7-9-12-17(5)19-13-16(4)18/h6,9-10,12,14-15H,4,7-8,11,13,18H2,1-3,5H3/b10-6-,12-9+,19-17+
InChIKeyNSNIWVNAJORJHA-DQJOAMEQSA-N
MW262.44 g/mol
LogP4.49
Rot. Bonds9

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

3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (PubChem CID 143346050) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
PubChem CID143346050
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-[[(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
InChIInChI=1S/C17H30N2/c1-6-10-14(2)15(3)11-8-7-9-12-17(5)19-13-16(4)18/h6,9-10,12,14-15H,4,7-8,11,13,18H2,1-3,5H3/b10-6-,12-9+,19-17+
InChIKeyNSNIWVNAJORJHA-DQJOAMEQSA-N
XLogP4.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.49
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': 'isolated_alkene', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

2-[(4-Propan-2-ylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123495440
(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine
CID 126599255
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
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
(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine
CID 174341674
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 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The IUPAC name of 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (CID 143346050) is 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The canonical SMILES for 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.
What is the InChIKey of 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The InChIKey is NSNIWVNAJORJHA-DQJOAMEQSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-10-14(2)15(3)11-8-7-9-12-17(5)19-13-16(4)18/h6,9-10,12,14-15H,4,7-8,11,13,18H2,1-3,5H3/b10-6-,12-9+,19-17+.
What are the key properties of 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine has a molecular weight of 262.44 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 143346050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).