3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine

C12H25N3 — CID 134892074

IUPAC3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine
SMILESCCCCN=C=NCCCN(CC)CC
InChIInChI=1S/C12H25N3/c1-4-7-9-13-12-14-10-8-11-15(5-2)6-3/h4-11H2,1-3H3
InChIKeyCIIWRUJKKBMFIQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.69
Rot. Bonds9

About 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine

3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine (PubChem CID 134892074) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine
PubChem CID134892074
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine
SMILESCCCCN=C=NCCCN(CC)CC
InChIInChI=1S/C12H25N3/c1-4-7-9-13-12-14-10-8-11-15(5-2)6-3/h4-11H2,1-3H3
InChIKeyCIIWRUJKKBMFIQ-UHFFFAOYSA-N
XLogP2.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.69
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-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine (CID 134892074) is 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine is CCCCN=C=NCCCN(CC)CC.
What is the InChIKey of 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine?
The InChIKey is CIIWRUJKKBMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-7-9-13-12-14-10-8-11-15(5-2)6-3/h4-11H2,1-3H3.
What are the key properties of 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine?
3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butyliminomethylideneamino)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 134892074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).