1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane

C15H28N2O — CID 64951588

IUPAC1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
SMILESC1CCC(OCCN2CCCNC(C3CC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-2-5-14(4-1)18-11-10-17-9-3-8-16-15(12-17)13-6-7-13/h13-16H,1-12H2
InChIKeySNYULSVKNOAUDA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds5

About 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane

1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane (PubChem CID 64951588) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
PubChem CID64951588
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
SMILESC1CCC(OCCN2CCCNC(C3CC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-2-5-14(4-1)18-11-10-17-9-3-8-16-15(12-17)13-6-7-13/h13-16H,1-12H2
InChIKeySNYULSVKNOAUDA-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexyloxyethyl)-3-cyclopropylpiperazine
CID 64953422
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
1-(2-cyclopentyloxyethyl)-4-methyl-1,5-diazocane
CID 63826366
3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64872115
3-cyclohexyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64872103
1-(2-cyclohexyloxyethyl)-1,5-diazocane
CID 63826545
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
CID 114201405
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
1-(2-cycloheptyloxyethyl)piperidin-3-ol
CID 111432869
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
1-(2-cyclopentyloxyethyl)-5-cyclopropyl-2-ethylpiperazine
CID 64940447

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane?
The IUPAC name of 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane (CID 64951588) is 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane.
What is the SMILES notation for 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane?
The canonical SMILES for 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane is C1CCC(OCCN2CCCNC(C3CC3)C2)C1.
What is the InChIKey of 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane?
The InChIKey is SNYULSVKNOAUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-5-14(4-1)18-11-10-17-9-3-8-16-15(12-17)13-6-7-13/h13-16H,1-12H2.
What are the key properties of 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane?
1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane has a molecular weight of 252.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane is sourced from PubChem (CID 64951588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).