3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine

C9H19N3 — CID 59838970

IUPAC3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCC/N=C/C=N/CCCN(C)C
InChIInChI=1S/C9H19N3/c1-4-10-7-8-11-6-5-9-12(2)3/h7-8H,4-6,9H2,1-3H3/b10-7+,11-8+
InChIKeyCFUULSNMHQMSCP-AMMQDNIMSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds6

About 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine

3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 59838970) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID59838970
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCC/N=C/C=N/CCCN(C)C
InChIInChI=1S/C9H19N3/c1-4-10-7-8-11-6-5-9-12(2)3/h7-8H,4-6,9H2,1-3H3/b10-7+,11-8+
InChIKeyCFUULSNMHQMSCP-AMMQDNIMSA-N
XLogP1.10
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
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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Related Compounds

N,N'-dipropylethane-1,2-diimine
CID 12091043
4-(ethylideneamino)-N,N-dimethylpentan-2-amine
CID 18339675
Ethyl-ethylidene-propylazanium
CID 18732252
N,N-Dimethyl-3-[(E)-(2-methylpropylidene)amino]propan-1-amine
CID 20341598
3-(butylideneamino)-N,N-dimethylbutan-1-amine
CID 20341606
1,5-dimethyl-3,4,6,7-tetrahydro-2H-1,5-diazocin-1-ium
CID 21043719
N,N-dimethyl-3-(propan-2-ylideneamino)propan-1-amine
CID 53982170
3-[3-(dimethylamino)propylideneamino]-N,N-dimethylpropan-1-amine
CID 54004618
1-Methyl-2,5,6,7-tetrahydro-1,4-diazepine
CID 57052280
N,N-dimethyl-3-(propylideneamino)propan-1-amine
CID 57300583
N,N-Dipropylpropan-1-iminium
CID 57895056
1-Ethyl-2,5,6,7-tetrahydro-1,4-diazepine
CID 59531476

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine (CID 59838970) is 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine is CC/N=C/C=N/CCCN(C)C.
What is the InChIKey of 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is CFUULSNMHQMSCP-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-10-7-8-11-6-5-9-12(2)3/h7-8H,4-6,9H2,1-3H3/b10-7+,11-8+.
What are the key properties of 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine?
3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 59838970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).