1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane

C16H26N2O — CID 64856673

IUPAC1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCOc2ccccc2)CCCN1
InChIInChI=1S/C16H26N2O/c1-14(2)16-13-18(10-6-9-17-16)11-12-19-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyICSRTQWIVIXSDJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds5

About 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane

1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane (PubChem CID 64856673) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane
PubChem CID64856673
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCOc2ccccc2)CCCN1
InChIInChI=1S/C16H26N2O/c1-14(2)16-13-18(10-6-9-17-16)11-12-19-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyICSRTQWIVIXSDJ-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907517
1-[(3-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858406
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
3-propan-2-yl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64856484
6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
CID 55017624
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
4-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64950407
1-[2-(3-methylbutoxy)ethyl]-3-phenyl-1,4-diazepane
CID 64859236
3-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 106409016
2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane (CID 64856673) is 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(CCOc2ccccc2)CCCN1.
What is the InChIKey of 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is ICSRTQWIVIXSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)16-13-18(10-6-9-17-16)11-12-19-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane?
1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 262.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64856673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).