(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine

C14H22N2 — CID 143776829

IUPAC(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine
SMILESC=C/C=C(/C/C=C\C=N\C)C/C=C\CCN
InChIInChI=1S/C14H22N2/c1-3-9-14(10-5-4-7-12-15)11-6-8-13-16-2/h3-6,8-9,13H,1,7,10-12,15H2,2H3/b5-4-,8-6-,14-9+,16-13+
InChIKeyRWLIBVCTTZWIRM-ALZQANTCSA-N
MW218.34 g/mol
LogP3.04
Rot. Bonds8

About (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine

(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine (PubChem CID 143776829) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine.

Molecular Properties

Compound Name(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine
PubChem CID143776829
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine
SMILESC=C/C=C(/C/C=C\C=N\C)C/C=C\CCN
InChIInChI=1S/C14H22N2/c1-3-9-14(10-5-4-7-12-15)11-6-8-13-16-2/h3-6,8-9,13H,1,7,10-12,15H2,2H3/b5-4-,8-6-,14-9+,16-13+
InChIKeyRWLIBVCTTZWIRM-ALZQANTCSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine?
The IUPAC name of (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine (CID 143776829) is (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine.
What is the SMILES notation for (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine?
The canonical SMILES for (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine is C=C/C=C(/C/C=C\C=N\C)C/C=C\CCN.
What is the InChIKey of (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine?
The InChIKey is RWLIBVCTTZWIRM-ALZQANTCSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-9-14(10-5-4-7-12-15)11-6-8-13-16-2/h3-6,8-9,13H,1,7,10-12,15H2,2H3/b5-4-,8-6-,14-9+,16-13+.
What are the key properties of (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine?
(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine is sourced from PubChem (CID 143776829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).