(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine

C14H28N2 — CID 174354908

IUPAC(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine
SMILESCCC(C)CC(C)/C=C(CCN)\C(C)=N\C
InChIInChI=1S/C14H28N2/c1-6-11(2)9-12(3)10-14(7-8-15)13(4)16-5/h10-12H,6-9,15H2,1-5H3/b14-10-,16-13+
InChIKeyGQJVIXMUMOXBAC-DMQMWSGSSA-N
MW224.39 g/mol
LogP3.42
Rot. Bonds7

About (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine

(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine (PubChem CID 174354908) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine
PubChem CID174354908
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine
SMILESCCC(C)CC(C)/C=C(CCN)\C(C)=N\C
InChIInChI=1S/C14H28N2/c1-6-11(2)9-12(3)10-14(7-8-15)13(4)16-5/h10-12H,6-9,15H2,1-5H3/b14-10-,16-13+
InChIKeyGQJVIXMUMOXBAC-DMQMWSGSSA-N
XLogP3.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine?
The IUPAC name of (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine (CID 174354908) is (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine.
What is the SMILES notation for (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine?
The canonical SMILES for (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine is CCC(C)CC(C)/C=C(CCN)\C(C)=N\C.
What is the InChIKey of (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine?
The InChIKey is GQJVIXMUMOXBAC-DMQMWSGSSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-11(2)9-12(3)10-14(7-8-15)13(4)16-5/h10-12H,6-9,15H2,1-5H3/b14-10-,16-13+.
What are the key properties of (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine?
(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine is sourced from PubChem (CID 174354908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).