N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine

C19H25N — CID 170359893

IUPACN-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine
SMILESC=C/C=C\C=C(C=C)\C(=C\C=C)\N=C(\C=C)C(C)(C)C
InChIInChI=1S/C19H25N/c1-8-12-13-15-16(10-3)17(14-9-2)20-18(11-4)19(5,6)7/h8-15H,1-4H2,5-7H3/b13-12-,16-15+,17-14-,20-18+
InChIKeyDPKBJDRBMCKGAM-ZMEOCGIYSA-N
MW267.42 g/mol
LogP5.58
Rot. Bonds7

About N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine

N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine (PubChem CID 170359893) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine
PubChem CID170359893
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine
SMILESC=C/C=C\C=C(C=C)\C(=C\C=C)\N=C(\C=C)C(C)(C)C
InChIInChI=1S/C19H25N/c1-8-12-13-15-16(10-3)17(14-9-2)20-18(11-4)19(5,6)7/h8-15H,1-4H2,5-7H3/b13-12-,16-15+,17-14-,20-18+
InChIKeyDPKBJDRBMCKGAM-ZMEOCGIYSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.58
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine?
The IUPAC name of N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine (CID 170359893) is N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine.
What is the SMILES notation for N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine?
The canonical SMILES for N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine is C=C/C=C\C=C(C=C)\C(=C\C=C)\N=C(\C=C)C(C)(C)C.
What is the InChIKey of N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine?
The InChIKey is DPKBJDRBMCKGAM-ZMEOCGIYSA-N. The full InChI is InChI=1S/C19H25N/c1-8-12-13-15-16(10-3)17(14-9-2)20-18(11-4)19(5,6)7/h8-15H,1-4H2,5-7H3/b13-12-,16-15+,17-14-,20-18+.
What are the key properties of N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine?
N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine has a molecular weight of 267.42 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E,7Z)-5-ethenyldeca-1,3,5,7,9-pentaen-4-yl]-4,4-dimethylpent-1-en-3-imine is sourced from PubChem (CID 170359893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).