2-methyl-1-(1-phenylethyl)-1,4-diazepane

C14H22N2 — CID 82242013

IUPAC2-methyl-1-(1-phenylethyl)-1,4-diazepane
SMILESCC1CNCCCN1C(C)c1ccccc1
InChIInChI=1S/C14H22N2/c1-12-11-15-9-6-10-16(12)13(2)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3
InChIKeyLZGNFDSTEJPVRA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds2

About 2-methyl-1-(1-phenylethyl)-1,4-diazepane

2-methyl-1-(1-phenylethyl)-1,4-diazepane (PubChem CID 82242013) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylethyl)-1,4-diazepane.

Molecular Properties

Compound Name2-methyl-1-(1-phenylethyl)-1,4-diazepane
PubChem CID82242013
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-1-(1-phenylethyl)-1,4-diazepane
SMILESCC1CNCCCN1C(C)c1ccccc1
InChIInChI=1S/C14H22N2/c1-12-11-15-9-6-10-16(12)13(2)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3
InChIKeyLZGNFDSTEJPVRA-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylethyl)-1,4-diazepane?
The IUPAC name of 2-methyl-1-(1-phenylethyl)-1,4-diazepane (CID 82242013) is 2-methyl-1-(1-phenylethyl)-1,4-diazepane.
What is the SMILES notation for 2-methyl-1-(1-phenylethyl)-1,4-diazepane?
The canonical SMILES for 2-methyl-1-(1-phenylethyl)-1,4-diazepane is CC1CNCCCN1C(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylethyl)-1,4-diazepane?
The InChIKey is LZGNFDSTEJPVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-11-15-9-6-10-16(12)13(2)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3.
What are the key properties of 2-methyl-1-(1-phenylethyl)-1,4-diazepane?
2-methyl-1-(1-phenylethyl)-1,4-diazepane has a molecular weight of 218.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylethyl)-1,4-diazepane is sourced from PubChem (CID 82242013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).