1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane

C11H22N2 — CID 131140809

IUPAC1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane
SMILESCCC1(N2CCCNC(C)C2)CC1
InChIInChI=1S/C11H22N2/c1-3-11(5-6-11)13-8-4-7-12-10(2)9-13/h10,12H,3-9H2,1-2H3
InChIKeyOJOUREXDIZIROS-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds2

About 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane

1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane (PubChem CID 131140809) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane
PubChem CID131140809
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane
SMILESCCC1(N2CCCNC(C)C2)CC1
InChIInChI=1S/C11H22N2/c1-3-11(5-6-11)13-8-4-7-12-10(2)9-13/h10,12H,3-9H2,1-2H3
InChIKeyOJOUREXDIZIROS-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane?
The IUPAC name of 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane (CID 131140809) is 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane is CCC1(N2CCCNC(C)C2)CC1.
What is the InChIKey of 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane?
The InChIKey is OJOUREXDIZIROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-11(5-6-11)13-8-4-7-12-10(2)9-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane?
1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane has a molecular weight of 182.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopropyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 131140809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).