3-(2-methylpropyl)-1-phenyl-1,4-diazepane

C15H24N2 — CID 64943310

IUPAC3-(2-methylpropyl)-1-phenyl-1,4-diazepane
SMILESCC(C)CC1CN(c2ccccc2)CCCN1
InChIInChI=1S/C15H24N2/c1-13(2)11-14-12-17(10-6-9-16-14)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3
InChIKeyDVPYZZUCBIQPHI-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.90
Rot. Bonds3

About 3-(2-methylpropyl)-1-phenyl-1,4-diazepane

3-(2-methylpropyl)-1-phenyl-1,4-diazepane (PubChem CID 64943310) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-phenyl-1,4-diazepane
PubChem CID64943310
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(2-methylpropyl)-1-phenyl-1,4-diazepane
SMILESCC(C)CC1CN(c2ccccc2)CCCN1
InChIInChI=1S/C15H24N2/c1-13(2)11-14-12-17(10-6-9-16-14)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3
InChIKeyDVPYZZUCBIQPHI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64941886
N,N-dimethyl-4-[3-(2-methylpropyl)-1,4-diazepan-1-yl]aniline
CID 64944334
1-(2-methylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944305
1-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64942750
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944342
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
3-(2-methylpropyl)-1-(2-propylphenyl)-1,4-diazepane
CID 64944639
3-(2-methylpropyl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,4-diazepane
CID 82794456
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809
3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
CID 64923787
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
1-(4-bromo-2,3-dichlorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 107794378

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-phenyl-1,4-diazepane?
The IUPAC name of 3-(2-methylpropyl)-1-phenyl-1,4-diazepane (CID 64943310) is 3-(2-methylpropyl)-1-phenyl-1,4-diazepane.
What is the SMILES notation for 3-(2-methylpropyl)-1-phenyl-1,4-diazepane?
The canonical SMILES for 3-(2-methylpropyl)-1-phenyl-1,4-diazepane is CC(C)CC1CN(c2ccccc2)CCCN1.
What is the InChIKey of 3-(2-methylpropyl)-1-phenyl-1,4-diazepane?
The InChIKey is DVPYZZUCBIQPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)11-14-12-17(10-6-9-16-14)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-phenyl-1,4-diazepane?
3-(2-methylpropyl)-1-phenyl-1,4-diazepane has a molecular weight of 232.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-phenyl-1,4-diazepane is sourced from PubChem (CID 64943310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).