3-ethyl-1-prop-2-enyl-1,4-diazepane

C10H20N2 — CID 64870315

IUPAC3-ethyl-1-prop-2-enyl-1,4-diazepane
SMILESC=CCN1CCCNC(CC)C1
InChIInChI=1S/C10H20N2/c1-3-7-12-8-5-6-11-10(4-2)9-12/h3,10-11H,1,4-9H2,2H3
InChIKeyOFIIRSYJNYCCGH-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About 3-ethyl-1-prop-2-enyl-1,4-diazepane

3-ethyl-1-prop-2-enyl-1,4-diazepane (PubChem CID 64870315) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethyl-1-prop-2-enyl-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-prop-2-enyl-1,4-diazepane
PubChem CID64870315
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-ethyl-1-prop-2-enyl-1,4-diazepane
SMILESC=CCN1CCCNC(CC)C1
InChIInChI=1S/C10H20N2/c1-3-7-12-8-5-6-11-10(4-2)9-12/h3,10-11H,1,4-9H2,2H3
InChIKeyOFIIRSYJNYCCGH-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 22921984
CID 22921984
CID 137964628
CID 137964628
CID 130817014
CID 130817014
CID 43199370
CID 43199370
CID 54287033
CID 54287033
CID 54384316
CID 54384316
CID 57530983
CID 57530983
CID 61979873
CID 61979873
CID 62140698
CID 62140698
CID 62142409
CID 62142409
CID 62558150
CID 62558150
CID 62574828
CID 62574828

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-prop-2-enyl-1,4-diazepane?
The IUPAC name of 3-ethyl-1-prop-2-enyl-1,4-diazepane (CID 64870315) is 3-ethyl-1-prop-2-enyl-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-prop-2-enyl-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-prop-2-enyl-1,4-diazepane is C=CCN1CCCNC(CC)C1.
What is the InChIKey of 3-ethyl-1-prop-2-enyl-1,4-diazepane?
The InChIKey is OFIIRSYJNYCCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-7-12-8-5-6-11-10(4-2)9-12/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 3-ethyl-1-prop-2-enyl-1,4-diazepane?
3-ethyl-1-prop-2-enyl-1,4-diazepane has a molecular weight of 168.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-prop-2-enyl-1,4-diazepane is sourced from PubChem (CID 64870315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).