7-methyl-3-phenyl-1-propyl-1,4-diazepane

C15H24N2 — CID 64870768

IUPAC7-methyl-3-phenyl-1-propyl-1,4-diazepane
SMILESCCCN1CC(c2ccccc2)NCCC1C
InChIInChI=1S/C15H24N2/c1-3-11-17-12-15(16-10-9-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3
InChIKeyDRFWVLQNVRHWGT-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.82
Rot. Bonds3

About 7-methyl-3-phenyl-1-propyl-1,4-diazepane

7-methyl-3-phenyl-1-propyl-1,4-diazepane (PubChem CID 64870768) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1-propyl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-3-phenyl-1-propyl-1,4-diazepane
PubChem CID64870768
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name7-methyl-3-phenyl-1-propyl-1,4-diazepane
SMILESCCCN1CC(c2ccccc2)NCCC1C
InChIInChI=1S/C15H24N2/c1-3-11-17-12-15(16-10-9-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3
InChIKeyDRFWVLQNVRHWGT-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1-(3-methylsulfonylpropyl)-3-phenyl-1,4-diazepane
CID 64869984
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-[(4-bromothiophen-2-yl)methyl]-7-methyl-3-phenyl-1,4-diazepane
CID 64870571
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
1-benzyl-7-methyl-3-propyl-1,4-diazepane
CID 64869815
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
CID 64948447

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1-propyl-1,4-diazepane?
The IUPAC name of 7-methyl-3-phenyl-1-propyl-1,4-diazepane (CID 64870768) is 7-methyl-3-phenyl-1-propyl-1,4-diazepane.
What is the SMILES notation for 7-methyl-3-phenyl-1-propyl-1,4-diazepane?
The canonical SMILES for 7-methyl-3-phenyl-1-propyl-1,4-diazepane is CCCN1CC(c2ccccc2)NCCC1C.
What is the InChIKey of 7-methyl-3-phenyl-1-propyl-1,4-diazepane?
The InChIKey is DRFWVLQNVRHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-11-17-12-15(16-10-9-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3.
What are the key properties of 7-methyl-3-phenyl-1-propyl-1,4-diazepane?
7-methyl-3-phenyl-1-propyl-1,4-diazepane has a molecular weight of 232.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1-propyl-1,4-diazepane is sourced from PubChem (CID 64870768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).