3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane

C16H24N2 — CID 64950363

IUPAC3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane
SMILESCC1CC1N1CCCNC(C)(c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-13-11-15(13)18-10-6-9-17-16(2,12-18)14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKeyPJNIERUXAVACBO-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane

3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane (PubChem CID 64950363) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane
PubChem CID64950363
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane
SMILESCC1CC1N1CCCNC(C)(c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-13-11-15(13)18-10-6-9-17-16(2,12-18)14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKeyPJNIERUXAVACBO-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane?
The IUPAC name of 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane (CID 64950363) is 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane?
The canonical SMILES for 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane is CC1CC1N1CCCNC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane?
The InChIKey is PJNIERUXAVACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-11-15(13)18-10-6-9-17-16(2,12-18)14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane?
3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylcyclopropyl)-3-phenyl-1,4-diazepane is sourced from PubChem (CID 64950363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).