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

C14H28N2O — CID 64942765

IUPAC1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(C(C)C2CCCO2)CCCN1
InChIInChI=1S/C14H28N2O/c1-11(2)13-10-16(8-5-7-15-13)12(3)14-6-4-9-17-14/h11-15H,4-10H2,1-3H3
InChIKeyCRLVXCSBALVEGP-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds3

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

1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane (PubChem CID 64942765) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane
PubChem CID64942765
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(C(C)C2CCCO2)CCCN1
InChIInChI=1S/C14H28N2O/c1-11(2)13-10-16(8-5-7-15-13)12(3)14-6-4-9-17-14/h11-15H,4-10H2,1-3H3
InChIKeyCRLVXCSBALVEGP-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64924459
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
3,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64945119
6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane
CID 54973353
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
CID 131122145
(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
CID 176594247
1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
CID 106329785
1-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-propan-2-yl-1,4-diazepane
CID 64950824
4-methyl-2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076926
1-(oxolan-3-yl)-3-propan-2-ylpiperazine
CID 64833613

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane (CID 64942765) is 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(C(C)C2CCCO2)CCCN1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The InChIKey is CRLVXCSBALVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)13-10-16(8-5-7-15-13)12(3)14-6-4-9-17-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64942765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).