3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane

C12H26N2O — CID 64871501

IUPAC3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
SMILESCCC1CN(CCOC(C)C)CCCN1
InChIInChI=1S/C12H26N2O/c1-4-12-10-14(7-5-6-13-12)8-9-15-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyUQKKBVMWFRUEGO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds5

About 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane

3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane (PubChem CID 64871501) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
PubChem CID64871501
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
SMILESCCC1CN(CCOC(C)C)CCCN1
InChIInChI=1S/C12H26N2O/c1-4-12-10-14(7-5-6-13-12)8-9-15-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyUQKKBVMWFRUEGO-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
3-ethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64870707
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
3-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-1,4-diazepane
CID 64949634
1-[2-(2,2-difluoroethoxy)ethyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114127986
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
5-ethyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64841710
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
1,3-dipropyl-1,4-diazepane
CID 64870092
3-ethyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870904

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
The IUPAC name of 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane (CID 64871501) is 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane is CCC1CN(CCOC(C)C)CCCN1.
What is the InChIKey of 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
The InChIKey is UQKKBVMWFRUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12-10-14(7-5-6-13-12)8-9-15-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane has a molecular weight of 214.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane is sourced from PubChem (CID 64871501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).