1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane

C14H28N2O — CID 114129866

IUPAC1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCC2CCOC2)CCCN1
InChIInChI=1S/C14H28N2O/c1-12(2)14-10-16(7-3-6-15-14)8-4-13-5-9-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyHKCQCMVKPXNNMV-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane

1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane (PubChem CID 114129866) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
PubChem CID114129866
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCC2CCOC2)CCCN1
InChIInChI=1S/C14H28N2O/c1-12(2)14-10-16(7-3-6-15-14)8-4-13-5-9-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyHKCQCMVKPXNNMV-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylethyl)-3-propan-2-ylpiperazine
CID 64925108
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129863
1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843380
4-methyl-2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076926
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943276
1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114127972
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845704
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
CID 169242150

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane (CID 114129866) is 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(CCC2CCOC2)CCCN1.
What is the InChIKey of 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The InChIKey is HKCQCMVKPXNNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)14-10-16(7-3-6-15-14)8-4-13-5-9-17-11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 114129866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).