N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine

C13H23N — CID 130378022

IUPACN-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine
SMILESC=N/C(CCCCC)=C(/C)CC(=C)C
InChIInChI=1S/C13H23N/c1-6-7-8-9-13(14-5)12(4)10-11(2)3/h2,5-10H2,1,3-4H3/b13-12-
InChIKeyYNFOVLOEPYKGKJ-SEYXRHQNSA-N
MW193.33 g/mol
LogP4.51
Rot. Bonds7

About N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine

N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine (PubChem CID 130378022) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine
PubChem CID130378022
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine
SMILESC=N/C(CCCCC)=C(/C)CC(=C)C
InChIInChI=1S/C13H23N/c1-6-7-8-9-13(14-5)12(4)10-11(2)3/h2,5-10H2,1,3-4H3/b13-12-
InChIKeyYNFOVLOEPYKGKJ-SEYXRHQNSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine?
The IUPAC name of N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine (CID 130378022) is N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine.
What is the SMILES notation for N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine?
The canonical SMILES for N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine is C=N/C(CCCCC)=C(/C)CC(=C)C.
What is the InChIKey of N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine?
The InChIKey is YNFOVLOEPYKGKJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H23N/c1-6-7-8-9-13(14-5)12(4)10-11(2)3/h2,5-10H2,1,3-4H3/b13-12-.
What are the key properties of N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine?
N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine is sourced from PubChem (CID 130378022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).