3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine

C15H28N2 — CID 123250661

IUPAC3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine
SMILESCCCC/N=C(\C)CC(=C1CC1)N(CC)CC
InChIInChI=1S/C15H28N2/c1-5-8-11-16-13(4)12-15(14-9-10-14)17(6-2)7-3/h5-12H2,1-4H3/b16-13+
InChIKeyVLFFAAUCIRKLFL-DTQAZKPQSA-N
MW236.40 g/mol
LogP4.03
Rot. Bonds8

About 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine

3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine (PubChem CID 123250661) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine
PubChem CID123250661
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine
SMILESCCCC/N=C(\C)CC(=C1CC1)N(CC)CC
InChIInChI=1S/C15H28N2/c1-5-8-11-16-13(4)12-15(14-9-10-14)17(6-2)7-3/h5-12H2,1-4H3/b16-13+
InChIKeyVLFFAAUCIRKLFL-DTQAZKPQSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
CID 163465018
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
CID 178170621
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine
CID 178170754

Frequently Asked Questions

What is the IUPAC name of 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine?
The IUPAC name of 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine (CID 123250661) is 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine.
What is the SMILES notation for 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine?
The canonical SMILES for 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine is CCCC/N=C(\C)CC(=C1CC1)N(CC)CC.
What is the InChIKey of 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine?
The InChIKey is VLFFAAUCIRKLFL-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-8-11-16-13(4)12-15(14-9-10-14)17(6-2)7-3/h5-12H2,1-4H3/b16-13+.
What are the key properties of 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine?
3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine is sourced from PubChem (CID 123250661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).