3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane

C14H26N2O — CID 103141652

IUPAC3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
SMILESCC1CCC(CN2CCCNC(C3CC3)C2)O1
InChIInChI=1S/C14H26N2O/c1-11-3-6-13(17-11)9-16-8-2-7-15-14(10-16)12-4-5-12/h11-15H,2-10H2,1H3
InChIKeyJLOSTJXXUYTREU-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

About 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane

3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane (PubChem CID 103141652) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
PubChem CID103141652
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
SMILESCC1CCC(CN2CCCNC(C3CC3)C2)O1
InChIInChI=1S/C14H26N2O/c1-11-3-6-13(17-11)9-16-8-2-7-15-14(10-16)12-4-5-12/h11-15H,2-10H2,1H3
InChIKeyJLOSTJXXUYTREU-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-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)-1,4-diazepane
CID 79550399
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
CID 114201405
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
CID 103134708
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane (CID 103141652) is 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane is CC1CCC(CN2CCCNC(C3CC3)C2)O1.
What is the InChIKey of 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane?
The InChIKey is JLOSTJXXUYTREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-3-6-13(17-11)9-16-8-2-7-15-14(10-16)12-4-5-12/h11-15H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane?
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-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-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 103141652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).