3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane

C17H26N2 — CID 64943908

IUPAC3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane
SMILESCc1cc(C)cc(N2CCCNC(C)(C3CC3)C2)c1
InChIInChI=1S/C17H26N2/c1-13-9-14(2)11-16(10-13)19-8-4-7-18-17(3,12-19)15-5-6-15/h9-11,15,18H,4-8,12H2,1-3H3
InChIKeyJCDYJRJNBOJFCU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds2

About 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane

3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane (PubChem CID 64943908) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane
PubChem CID64943908
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane
SMILESCc1cc(C)cc(N2CCCNC(C)(C3CC3)C2)c1
InChIInChI=1S/C17H26N2/c1-13-9-14(2)11-16(10-13)19-8-4-7-18-17(3,12-19)15-5-6-15/h9-11,15,18H,4-8,12H2,1-3H3
InChIKeyJCDYJRJNBOJFCU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1,4-diazepane
CID 64945068
1-(2-chloro-4-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64942415
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)-1,4-diazepane
CID 64943180
3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
CID 64923831
4-(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)-N,N-dimethylaniline
CID 64944731
3-cyclopropyl-3-methyl-1-(3-methylsulfanylphenyl)-1,4-diazepane
CID 64943759
3-(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)-N,N-dimethylaniline
CID 115379292
3-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)-3-methyl-1,4-diazepane
CID 83081044
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
CID 64871487
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
CID 64926348
3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane
CID 79043351
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane (CID 64943908) is 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane is Cc1cc(C)cc(N2CCCNC(C)(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane?
The InChIKey is JCDYJRJNBOJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-9-14(2)11-16(10-13)19-8-4-7-18-17(3,12-19)15-5-6-15/h9-11,15,18H,4-8,12H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane?
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane has a molecular weight of 258.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64943908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).