3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide

C9H18N2O — CID 115161371

IUPAC3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)N(C)C(=O)C1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-6(2)11(3)9(12)7-4-8(10)5-7/h6-8H,4-5,10H2,1-3H3
InChIKeyVNANRJUKPBQALI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide

3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 115161371) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
PubChem CID115161371
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)N(C)C(=O)C1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-6(2)11(3)9(12)7-4-8(10)5-7/h6-8H,4-5,10H2,1-3H3
InChIKeyVNANRJUKPBQALI-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide (CID 115161371) is 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide is CC(C)N(C)C(=O)C1CC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is VNANRJUKPBQALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)11(3)9(12)7-4-8(10)5-7/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 115161371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).