3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane

C14H26N2O — CID 64871322

IUPAC3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
SMILESC1CCC(CN2CCCNC(C3CC3)C2)OC1
InChIInChI=1S/C14H26N2O/c1-2-9-17-13(4-1)10-16-8-3-7-15-14(11-16)12-5-6-12/h12-15H,1-11H2
InChIKeyOXDFDCANZGSMRW-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

About 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane

3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane (PubChem CID 64871322) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
PubChem CID64871322
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
SMILESC1CCC(CN2CCCNC(C3CC3)C2)OC1
InChIInChI=1S/C14H26N2O/c1-2-9-17-13(4-1)10-16-8-3-7-15-14(11-16)12-5-6-12/h12-15H,1-11H2
InChIKeyOXDFDCANZGSMRW-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
1-(oxan-2-ylmethyl)piperazine
CID 14981447
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
3-cyclopropyl-7-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64871612
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
CID 64834625
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
CID 64951588
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
CID 102682618

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane (CID 64871322) is 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane is C1CCC(CN2CCCNC(C3CC3)C2)OC1.
What is the InChIKey of 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane?
The InChIKey is OXDFDCANZGSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-9-17-13(4-1)10-16-8-3-7-15-14(11-16)12-5-6-12/h12-15H,1-11H2.
What are the key properties of 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane?
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane has a molecular weight of 238.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 64871322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).