7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane

C17H28N2 — CID 64870549

IUPAC7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCc2ccccc2)C(C)CCN1
InChIInChI=1S/C17H28N2/c1-14(2)17-13-19(15(3)9-11-18-17)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3
InChIKeyTWVPOHQBXBXGJQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds4

About 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane

7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane (PubChem CID 64870549) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
PubChem CID64870549
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCc2ccccc2)C(C)CCN1
InChIInChI=1S/C17H28N2/c1-14(2)17-13-19(15(3)9-11-18-17)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3
InChIKeyTWVPOHQBXBXGJQ-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane with MolForge

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Related Compounds

2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 64870356
3-benzyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane
CID 83149660
2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 104567944
2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64870552
7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733370
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055
7-methyl-3-phenyl-1-propyl-1,4-diazepane
CID 64870768
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane (CID 64870549) is 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(CCc2ccccc2)C(C)CCN1.
What is the InChIKey of 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is TWVPOHQBXBXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)17-13-19(15(3)9-11-18-17)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3.
What are the key properties of 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane?
7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 260.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64870549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).