1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane

C16H24N2 — CID 134507640

IUPAC1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane
SMILESC=C(C)c1cc(C)ccc1N1CCCN(C)CC1
InChIInChI=1S/C16H24N2/c1-13(2)15-12-14(3)6-7-16(15)18-9-5-8-17(4)10-11-18/h6-7,12H,1,5,8-11H2,2-4H3
InChIKeyNBRVOLSOQNYUAF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.17
Rot. Bonds2

About 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane

1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane (PubChem CID 134507640) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane
PubChem CID134507640
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane
SMILESC=C(C)c1cc(C)ccc1N1CCCN(C)CC1
InChIInChI=1S/C16H24N2/c1-13(2)15-12-14(3)6-7-16(15)18-9-5-8-17(4)10-11-18/h6-7,12H,1,5,8-11H2,2-4H3
InChIKeyNBRVOLSOQNYUAF-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
ethyl 2-[4-(4-methyl-2-prop-1-en-2-ylphenyl)piperazin-1-yl]-2-oxoacetate
CID 66793118
2-[4-(2-hydroxy-5-methylphenyl)-1,4-diazepan-1-yl]-4-methylphenol
CID 102342168
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-(2-ethyl-4-methylphenyl)-4-methylpiperazine
CID 70652133
6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
CID 166801108
2-(4-hydroxy-4-methylazepan-1-yl)-5-methylbenzenecarbothioamide
CID 107929385
5-fluoro-N'-hydroxy-2-(4-methyl-1,4-diazepan-1-yl)benzenecarboximidamide
CID 55234100
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
5-methyl-2-(1,4-thiazepan-4-yl)benzenecarbothioamide
CID 107928635

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane (CID 134507640) is 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane is C=C(C)c1cc(C)ccc1N1CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane?
The InChIKey is NBRVOLSOQNYUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)15-12-14(3)6-7-16(15)18-9-5-8-17(4)10-11-18/h6-7,12H,1,5,8-11H2,2-4H3.
What are the key properties of 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane?
1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane is sourced from PubChem (CID 134507640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).