2-phenyl-1-propan-2-yl-1,4-diazepane

C14H22N2 — CID 82242017

IUPAC2-phenyl-1-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCCNCC1c1ccccc1
InChIInChI=1S/C14H22N2/c1-12(2)16-10-6-9-15-11-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3
InChIKeyYNXWUCKXJYMJIH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds2

About 2-phenyl-1-propan-2-yl-1,4-diazepane

2-phenyl-1-propan-2-yl-1,4-diazepane (PubChem CID 82242017) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name2-phenyl-1-propan-2-yl-1,4-diazepane
PubChem CID82242017
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-phenyl-1-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCCNCC1c1ccccc1
InChIInChI=1S/C14H22N2/c1-12(2)16-10-6-9-15-11-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3
InChIKeyYNXWUCKXJYMJIH-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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Related Compounds

(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
1-(3-ethylpentan-2-yl)-2-phenylpiperazine
CID 64930340
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
1-methylsulfonyl-2-phenyl-1,4-diazepane
CID 82245286
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932331
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
1-cyclobutyl-2-phenylpiperazine
CID 64931514
1-(2-phenylpiperazin-1-yl)ethyl 3-oxobutanoate
CID 70362035
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole
CID 44783469

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-yl-1,4-diazepane?
The IUPAC name of 2-phenyl-1-propan-2-yl-1,4-diazepane (CID 82242017) is 2-phenyl-1-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 2-phenyl-1-propan-2-yl-1,4-diazepane?
The canonical SMILES for 2-phenyl-1-propan-2-yl-1,4-diazepane is CC(C)N1CCCNCC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-propan-2-yl-1,4-diazepane?
The InChIKey is YNXWUCKXJYMJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)16-10-6-9-15-11-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3.
What are the key properties of 2-phenyl-1-propan-2-yl-1,4-diazepane?
2-phenyl-1-propan-2-yl-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-phenyl-1-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 82242017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).