1-ethyl-3-(ethylamino)azetidine-3-carboxamide

C8H17N3O — CID 67585701

IUPAC1-ethyl-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(CC)C1
InChIInChI=1S/C8H17N3O/c1-3-10-8(7(9)12)5-11(4-2)6-8/h10H,3-6H2,1-2H3,(H2,9,12)
InChIKeyRERAHAMKILUFHL-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds4

About 1-ethyl-3-(ethylamino)azetidine-3-carboxamide

1-ethyl-3-(ethylamino)azetidine-3-carboxamide (PubChem CID 67585701) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-ethyl-3-(ethylamino)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(ethylamino)azetidine-3-carboxamide
PubChem CID67585701
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-ethyl-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(CC)C1
InChIInChI=1S/C8H17N3O/c1-3-10-8(7(9)12)5-11(4-2)6-8/h10H,3-6H2,1-2H3,(H2,9,12)
InChIKeyRERAHAMKILUFHL-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(ethylamino)azetidine-3-carboxamide?
The IUPAC name of 1-ethyl-3-(ethylamino)azetidine-3-carboxamide (CID 67585701) is 1-ethyl-3-(ethylamino)azetidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-3-(ethylamino)azetidine-3-carboxamide?
The canonical SMILES for 1-ethyl-3-(ethylamino)azetidine-3-carboxamide is CCNC1(C(N)=O)CN(CC)C1.
What is the InChIKey of 1-ethyl-3-(ethylamino)azetidine-3-carboxamide?
The InChIKey is RERAHAMKILUFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10-8(7(9)12)5-11(4-2)6-8/h10H,3-6H2,1-2H3,(H2,9,12).
What are the key properties of 1-ethyl-3-(ethylamino)azetidine-3-carboxamide?
1-ethyl-3-(ethylamino)azetidine-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylamino)azetidine-3-carboxamide is sourced from PubChem (CID 67585701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).