dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium

C14H27N2+ — CID 123427394

IUPACdimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
SMILESCCCC(=CC=[N+](C)C)C(NC)=C(C)CC
InChIInChI=1S/C14H27N2/c1-7-9-13(10-11-16(5)6)14(15-4)12(3)8-2/h10-11,15H,7-9H2,1-6H3/q+1
InChIKeyWRUVHXPJBHNFMI-UHFFFAOYSA-N
MW223.38 g/mol
LogP2.96
Rot. Bonds6

About dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium

dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium (PubChem CID 123427394) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium.

Molecular Properties

Compound Namedimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
PubChem CID123427394
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Namedimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
SMILESCCCC(=CC=[N+](C)C)C(NC)=C(C)CC
InChIInChI=1S/C14H27N2/c1-7-9-13(10-11-16(5)6)14(15-4)12(3)8-2/h10-11,15H,7-9H2,1-6H3/q+1
InChIKeyWRUVHXPJBHNFMI-UHFFFAOYSA-N
XLogP2.96
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium?
The IUPAC name of dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium (CID 123427394) is dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium.
What is the SMILES notation for dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium?
The canonical SMILES for dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium is CCCC(=CC=[N+](C)C)C(NC)=C(C)CC.
What is the InChIKey of dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium?
The InChIKey is WRUVHXPJBHNFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2/c1-7-9-13(10-11-16(5)6)14(15-4)12(3)8-2/h10-11,15H,7-9H2,1-6H3/q+1.
What are the key properties of dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium?
dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium has a molecular weight of 223.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium is sourced from PubChem (CID 123427394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).