N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine

C12H18N2 — CID 59937466

IUPACN,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
SMILESC/N=C/C=CC=C(C)C=CC=CNC
InChIInChI=1S/C12H18N2/c1-12(8-4-6-10-13-2)9-5-7-11-14-3/h4-11,13H,1-3H3/b7-5?,8-4?,10-6?,12-9?,14-11+
InChIKeyOVJYJKXCTNFGRK-LQFFSHQESA-N
MW190.29 g/mol
LogP2.48
Rot. Bonds5

About N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine

N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine (PubChem CID 59937466) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
PubChem CID59937466
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
SMILESC/N=C/C=CC=C(C)C=CC=CNC
InChIInChI=1S/C12H18N2/c1-12(8-4-6-10-13-2)9-5-7-11-14-3/h4-11,13H,1-3H3/b7-5?,8-4?,10-6?,12-9?,14-11+
InChIKeyOVJYJKXCTNFGRK-LQFFSHQESA-N
XLogP2.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
The IUPAC name of N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine (CID 59937466) is N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
The canonical SMILES for N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine is C/N=C/C=CC=C(C)C=CC=CNC.
What is the InChIKey of N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
The InChIKey is OVJYJKXCTNFGRK-LQFFSHQESA-N. The full InChI is InChI=1S/C12H18N2/c1-12(8-4-6-10-13-2)9-5-7-11-14-3/h4-11,13H,1-3H3/b7-5?,8-4?,10-6?,12-9?,14-11+.
What are the key properties of N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 59937466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).