3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine

C10H23N3 — CID 54004618

IUPAC3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=N/CCCN(C)C
InChIInChI=1S/C10H23N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h7H,5-6,8-10H2,1-4H3/b11-7+
InChIKeyKNYXTLLGMNEAHW-YRNVUSSQSA-N
MW185.31 g/mol
LogP0.96
Rot. Bonds7

About 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine

3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine (PubChem CID 54004618) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine
PubChem CID54004618
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=N/CCCN(C)C
InChIInChI=1S/C10H23N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h7H,5-6,8-10H2,1-4H3/b11-7+
InChIKeyKNYXTLLGMNEAHW-YRNVUSSQSA-N
XLogP0.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine (CID 54004618) is 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine is CN(C)CC/C=N/CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine?
The InChIKey is KNYXTLLGMNEAHW-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H23N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h7H,5-6,8-10H2,1-4H3/b11-7+.
What are the key properties of 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine?
3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 54004618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).