N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide

C10H19FN2O — CID 155424089

IUPACN-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide
SMILESCN(CCCN)C(=O)C1CC(C)(F)C1
InChIInChI=1S/C10H19FN2O/c1-10(11)6-8(7-10)9(14)13(2)5-3-4-12/h8H,3-7,12H2,1-2H3
InChIKeyCLGIPTNEBYDEHZ-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.93
Rot. Bonds4

About N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide

N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 155424089) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID155424089
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC NameN-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide
SMILESCN(CCCN)C(=O)C1CC(C)(F)C1
InChIInChI=1S/C10H19FN2O/c1-10(11)6-8(7-10)9(14)13(2)5-3-4-12/h8H,3-7,12H2,1-2H3
InChIKeyCLGIPTNEBYDEHZ-UHFFFAOYSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide (CID 155424089) is N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide is CN(CCCN)C(=O)C1CC(C)(F)C1.
What is the InChIKey of N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is CLGIPTNEBYDEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-10(11)6-8(7-10)9(14)13(2)5-3-4-12/h8H,3-7,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-fluoro-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 155424089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).