1-benzyl-3-ethenylidene-2-propylazepane

C18H25N — CID 134982432

IUPAC1-benzyl-3-ethenylidene-2-propylazepane
SMILESC=C=C1CCCCN(Cc2ccccc2)C1CCC
InChIInChI=1S/C18H25N/c1-3-10-18-17(4-2)13-8-9-14-19(18)15-16-11-6-5-7-12-16/h5-7,11-12,18H,2-3,8-10,13-15H2,1H3
InChIKeyRHHFZCARUICABY-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.55
Rot. Bonds4

About 1-benzyl-3-ethenylidene-2-propylazepane

1-benzyl-3-ethenylidene-2-propylazepane (PubChem CID 134982432) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-benzyl-3-ethenylidene-2-propylazepane.

Molecular Properties

Compound Name1-benzyl-3-ethenylidene-2-propylazepane
PubChem CID134982432
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-benzyl-3-ethenylidene-2-propylazepane
SMILESC=C=C1CCCCN(Cc2ccccc2)C1CCC
InChIInChI=1S/C18H25N/c1-3-10-18-17(4-2)13-8-9-14-19(18)15-16-11-6-5-7-12-16/h5-7,11-12,18H,2-3,8-10,13-15H2,1H3
InChIKeyRHHFZCARUICABY-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-(2-aminoethyl)-1-benzylazepan-3-one
CID 83488222
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-benzyl-2-propylpiperidin-4-one
CID 123828340
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol
CID 10568972
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-2-pentylsulfanylpiperidine
CID 69122946

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethenylidene-2-propylazepane?
The IUPAC name of 1-benzyl-3-ethenylidene-2-propylazepane (CID 134982432) is 1-benzyl-3-ethenylidene-2-propylazepane.
What is the SMILES notation for 1-benzyl-3-ethenylidene-2-propylazepane?
The canonical SMILES for 1-benzyl-3-ethenylidene-2-propylazepane is C=C=C1CCCCN(Cc2ccccc2)C1CCC.
What is the InChIKey of 1-benzyl-3-ethenylidene-2-propylazepane?
The InChIKey is RHHFZCARUICABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-3-10-18-17(4-2)13-8-9-14-19(18)15-16-11-6-5-7-12-16/h5-7,11-12,18H,2-3,8-10,13-15H2,1H3.
What are the key properties of 1-benzyl-3-ethenylidene-2-propylazepane?
1-benzyl-3-ethenylidene-2-propylazepane has a molecular weight of 255.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethenylidene-2-propylazepane is sourced from PubChem (CID 134982432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).