3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride

C9H19ClN2O — CID 165429599

IUPAC3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1CC(N)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-3-11(4-2)9(12)7-5-8(10)6-7;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyDIAYUAVSNAANNE-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.01
Rot. Bonds3

About 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride

3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride (PubChem CID 165429599) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride
PubChem CID165429599
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1CC(N)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-3-11(4-2)9(12)7-5-8(10)6-7;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyDIAYUAVSNAANNE-UHFFFAOYSA-N
XLogP1.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride (CID 165429599) is 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride is CCN(CC)C(=O)C1CC(N)C1.Cl.
What is the InChIKey of 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride?
The InChIKey is DIAYUAVSNAANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-3-11(4-2)9(12)7-5-8(10)6-7;/h7-8H,3-6,10H2,1-2H3;1H.
What are the key properties of 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride?
3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 165429599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).