2-(butyliminomethylideneamino)-N,N-dimethylethanamine

C9H19N3 — CID 134871643

IUPAC2-(butyliminomethylideneamino)-N,N-dimethylethanamine
SMILESCCCCN=C=NCCN(C)C
InChIInChI=1S/C9H19N3/c1-4-5-6-10-9-11-7-8-12(2)3/h4-8H2,1-3H3
InChIKeyYFWXJKOOAWTETG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.52
Rot. Bonds6

About 2-(butyliminomethylideneamino)-N,N-dimethylethanamine

2-(butyliminomethylideneamino)-N,N-dimethylethanamine (PubChem CID 134871643) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(butyliminomethylideneamino)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(butyliminomethylideneamino)-N,N-dimethylethanamine
PubChem CID134871643
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(butyliminomethylideneamino)-N,N-dimethylethanamine
SMILESCCCCN=C=NCCN(C)C
InChIInChI=1S/C9H19N3/c1-4-5-6-10-9-11-7-8-12(2)3/h4-8H2,1-3H3
InChIKeyYFWXJKOOAWTETG-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
N,N'-dioctadecylmethanediimine
CID 10918627
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174522599
N'-pentyl-N-propylmethanediimine
CID 88904849
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 174829721

Frequently Asked Questions

What is the IUPAC name of 2-(butyliminomethylideneamino)-N,N-dimethylethanamine?
The IUPAC name of 2-(butyliminomethylideneamino)-N,N-dimethylethanamine (CID 134871643) is 2-(butyliminomethylideneamino)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(butyliminomethylideneamino)-N,N-dimethylethanamine?
The canonical SMILES for 2-(butyliminomethylideneamino)-N,N-dimethylethanamine is CCCCN=C=NCCN(C)C.
What is the InChIKey of 2-(butyliminomethylideneamino)-N,N-dimethylethanamine?
The InChIKey is YFWXJKOOAWTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-5-6-10-9-11-7-8-12(2)3/h4-8H2,1-3H3.
What are the key properties of 2-(butyliminomethylideneamino)-N,N-dimethylethanamine?
2-(butyliminomethylideneamino)-N,N-dimethylethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butyliminomethylideneamino)-N,N-dimethylethanamine is sourced from PubChem (CID 134871643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).