N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine

C12H19N — CID 166769238

IUPACN-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine
SMILESC=CCC/C=C(\N=C)C(=C)CCC
InChIInChI=1S/C12H19N/c1-5-7-8-10-12(13-4)11(3)9-6-2/h5,10H,1,3-4,6-9H2,2H3/b12-10-
InChIKeyVYZDDGYMXMKUNI-BENRWUELSA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds7

About N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine

N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine (PubChem CID 166769238) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine
PubChem CID166769238
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine
SMILESC=CCC/C=C(\N=C)C(=C)CCC
InChIInChI=1S/C12H19N/c1-5-7-8-10-12(13-4)11(3)9-6-2/h5,10H,1,3-4,6-9H2,2H3/b12-10-
InChIKeyVYZDDGYMXMKUNI-BENRWUELSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine?
The IUPAC name of N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine (CID 166769238) is N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine.
What is the SMILES notation for N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine?
The canonical SMILES for N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine is C=CCC/C=C(\N=C)C(=C)CCC.
What is the InChIKey of N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine?
The InChIKey is VYZDDGYMXMKUNI-BENRWUELSA-N. The full InChI is InChI=1S/C12H19N/c1-5-7-8-10-12(13-4)11(3)9-6-2/h5,10H,1,3-4,6-9H2,2H3/b12-10-.
What are the key properties of N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine?
N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-4-methylidenedeca-5,9-dien-5-yl]methanimine is sourced from PubChem (CID 166769238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).