1-(2-phenylpent-2-enyl)-1,4-diazepane

C16H24N2 — CID 156609005

IUPAC1-(2-phenylpent-2-enyl)-1,4-diazepane
SMILESCCC=C(CN1CCCNCC1)c1ccccc1
InChIInChI=1S/C16H24N2/c1-2-7-16(15-8-4-3-5-9-15)14-18-12-6-10-17-11-13-18/h3-5,7-9,17H,2,6,10-14H2,1H3
InChIKeyBJEJWLCVBRTTHL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-phenylpent-2-enyl)-1,4-diazepane

1-(2-phenylpent-2-enyl)-1,4-diazepane (PubChem CID 156609005) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-phenylpent-2-enyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-phenylpent-2-enyl)-1,4-diazepane
PubChem CID156609005
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2-phenylpent-2-enyl)-1,4-diazepane
SMILESCCC=C(CN1CCCNCC1)c1ccccc1
InChIInChI=1S/C16H24N2/c1-2-7-16(15-8-4-3-5-9-15)14-18-12-6-10-17-11-13-18/h3-5,7-9,17H,2,6,10-14H2,1H3
InChIKeyBJEJWLCVBRTTHL-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
1-[(Z)-2,3-diphenylprop-2-enyl]pyrrolidine
CID 11334542
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
1-[(Z)-2-benzylbut-2-enyl]piperazine
CID 22628674
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline
CID 143277859
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one
CID 11623842
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpent-2-enyl)-1,4-diazepane?
The IUPAC name of 1-(2-phenylpent-2-enyl)-1,4-diazepane (CID 156609005) is 1-(2-phenylpent-2-enyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-phenylpent-2-enyl)-1,4-diazepane?
The canonical SMILES for 1-(2-phenylpent-2-enyl)-1,4-diazepane is CCC=C(CN1CCCNCC1)c1ccccc1.
What is the InChIKey of 1-(2-phenylpent-2-enyl)-1,4-diazepane?
The InChIKey is BJEJWLCVBRTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-7-16(15-8-4-3-5-9-15)14-18-12-6-10-17-11-13-18/h3-5,7-9,17H,2,6,10-14H2,1H3.
What are the key properties of 1-(2-phenylpent-2-enyl)-1,4-diazepane?
1-(2-phenylpent-2-enyl)-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpent-2-enyl)-1,4-diazepane is sourced from PubChem (CID 156609005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).