N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine

C15H23N — CID 142166657

IUPACN-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine
SMILESC=C/C=C(N=C)/C(=C\C=C/C)C(C)(C)CC
InChIInChI=1S/C15H23N/c1-7-10-12-13(15(4,5)9-3)14(16-6)11-8-2/h7-8,10-12H,2,6,9H2,1,3-5H3/b10-7-,13-12+,14-11-
InChIKeyRVWYMJLESPFYIZ-FNPJRJDVSA-N
MW217.36 g/mol
LogP4.70
Rot. Bonds6

About N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine

N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine (PubChem CID 142166657) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine
PubChem CID142166657
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine
SMILESC=C/C=C(N=C)/C(=C\C=C/C)C(C)(C)CC
InChIInChI=1S/C15H23N/c1-7-10-12-13(15(4,5)9-3)14(16-6)11-8-2/h7-8,10-12H,2,6,9H2,1,3-5H3/b10-7-,13-12+,14-11-
InChIKeyRVWYMJLESPFYIZ-FNPJRJDVSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine?
The IUPAC name of N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine (CID 142166657) is N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine is C=C/C=C(N=C)/C(=C\C=C/C)C(C)(C)CC.
What is the InChIKey of N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine?
The InChIKey is RVWYMJLESPFYIZ-FNPJRJDVSA-N. The full InChI is InChI=1S/C15H23N/c1-7-10-12-13(15(4,5)9-3)14(16-6)11-8-2/h7-8,10-12H,2,6,9H2,1,3-5H3/b10-7-,13-12+,14-11-.
What are the key properties of N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine?
N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine has a molecular weight of 217.36 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z,7Z)-5-(2-methylbutan-2-yl)nona-1,3,5,7-tetraen-4-yl]methanimine is sourced from PubChem (CID 142166657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).