(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine

C17H31N — CID 15315666

IUPAC(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine
SMILESCCCC/C=C/C(=C1CCCCC1)N(CC)CC
InChIInChI=1S/C17H31N/c1-4-7-8-12-15-17(18(5-2)6-3)16-13-10-9-11-14-16/h12,15H,4-11,13-14H2,1-3H3/b15-12+
InChIKeyGMDIYCSFESSLME-NTCAYCPXSA-N
MW249.44 g/mol
LogP5.29
Rot. Bonds7

About (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine

(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine (PubChem CID 15315666) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine.

Molecular Properties

Compound Name(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine
PubChem CID15315666
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine
SMILESCCCC/C=C/C(=C1CCCCC1)N(CC)CC
InChIInChI=1S/C17H31N/c1-4-7-8-12-15-17(18(5-2)6-3)16-13-10-9-11-14-16/h12,15H,4-11,13-14H2,1-3H3/b15-12+
InChIKeyGMDIYCSFESSLME-NTCAYCPXSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine?
The IUPAC name of (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine (CID 15315666) is (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine.
What is the SMILES notation for (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine?
The canonical SMILES for (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine is CCCC/C=C/C(=C1CCCCC1)N(CC)CC.
What is the InChIKey of (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine?
The InChIKey is GMDIYCSFESSLME-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H31N/c1-4-7-8-12-15-17(18(5-2)6-3)16-13-10-9-11-14-16/h12,15H,4-11,13-14H2,1-3H3/b15-12+.
What are the key properties of (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine?
(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine has a molecular weight of 249.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine is sourced from PubChem (CID 15315666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).