N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine

C14H23N — CID 91475759

IUPACN-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
SMILESC=C/C=N/C=CC=CC(C)C(C)CCC
InChIInChI=1S/C14H23N/c1-5-9-13(3)14(4)10-7-8-12-15-11-6-2/h6-8,10-14H,2,5,9H2,1,3-4H3/b10-7?,12-8?,15-11+
InChIKeySPDHXSUTJSTXPF-XZFLCJTGSA-N
MW205.34 g/mol
LogP4.39
Rot. Bonds7

About N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine

N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine (PubChem CID 91475759) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
PubChem CID91475759
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
SMILESC=C/C=N/C=CC=CC(C)C(C)CCC
InChIInChI=1S/C14H23N/c1-5-9-13(3)14(4)10-7-8-12-15-11-6-2/h6-8,10-14H,2,5,9H2,1,3-4H3/b10-7?,12-8?,15-11+
InChIKeySPDHXSUTJSTXPF-XZFLCJTGSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.39
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

(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine
CID 71206431
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
5-Methyl-4a,8a-dihydroisoquinoline
CID 89192315
(2Z,7E)-N,4-dimethyl-5-[(Z)-prop-1-enyl]nona-2,7-dien-1-imine
CID 89327958
5-Methyl-4a,5-dihydroisoquinoline
CID 90748969
3-Heptan-4-yl-3-methylazepine
CID 91391155
N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine
CID 91413102
N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 91443092
N-(4,7-dimethylocta-1,3-dienyl)methanimine
CID 91592171
6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
CID 118616845

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine?
The IUPAC name of N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine (CID 91475759) is N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine.
What is the SMILES notation for N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine?
The canonical SMILES for N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine is C=C/C=N/C=CC=CC(C)C(C)CCC.
What is the InChIKey of N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine?
The InChIKey is SPDHXSUTJSTXPF-XZFLCJTGSA-N. The full InChI is InChI=1S/C14H23N/c1-5-9-13(3)14(4)10-7-8-12-15-11-6-2/h6-8,10-14H,2,5,9H2,1,3-4H3/b10-7?,12-8?,15-11+.
What are the key properties of N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine?
N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine is sourced from PubChem (CID 91475759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).