1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane

C15H28N2O — CID 114120371

IUPAC1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(C2CCOC2C2CC2)CCCN1
InChIInChI=1S/C15H28N2O/c1-2-4-13-11-17(9-3-8-16-13)14-7-10-18-15(14)12-5-6-12/h12-16H,2-11H2,1H3
InChIKeyZVPGGIGQABRRGP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane

1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane (PubChem CID 114120371) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane
PubChem CID114120371
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(C2CCOC2C2CC2)CCCN1
InChIInChI=1S/C15H28N2O/c1-2-4-13-11-17(9-3-8-16-13)14-7-10-18-15(14)12-5-6-12/h12-16H,2-11H2,1H3
InChIKeyZVPGGIGQABRRGP-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane
CID 114120161
1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
CID 64949456
3-(3-propyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944268
1-cyclooctyl-3-propylpiperazine
CID 64924184
3-(3-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64944868
4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076925
1-(3-methylsulfanylcyclohexyl)-3-propyl-1,4-diazepane
CID 114122783
1,3-dipropyl-1,4-diazepane
CID 64870092
3-propyl-1-(4-propylcyclohexyl)piperazine
CID 64926746
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
ethane;2-propylpyrrolidine
CID 143349498

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane?
The IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane (CID 114120371) is 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane?
The canonical SMILES for 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane is CCCC1CN(C2CCOC2C2CC2)CCCN1.
What is the InChIKey of 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane?
The InChIKey is ZVPGGIGQABRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-4-13-11-17(9-3-8-16-13)14-7-10-18-15(14)12-5-6-12/h12-16H,2-11H2,1H3.
What are the key properties of 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane?
1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane has a molecular weight of 252.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane is sourced from PubChem (CID 114120371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).