N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine

C9H18FN — CID 130709078

IUPACN-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine
SMILESCC(CF)NC1CC(C)(C)C1
InChIInChI=1S/C9H18FN/c1-7(6-10)11-8-4-9(2,3)5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyJRYCKSNGJZPNIB-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine

N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine (PubChem CID 130709078) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine
PubChem CID130709078
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine
SMILESCC(CF)NC1CC(C)(C)C1
InChIInChI=1S/C9H18FN/c1-7(6-10)11-8-4-9(2,3)5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyJRYCKSNGJZPNIB-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine?
The IUPAC name of N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine (CID 130709078) is N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine is CC(CF)NC1CC(C)(C)C1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine?
The InChIKey is JRYCKSNGJZPNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(6-10)11-8-4-9(2,3)5-8/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine?
N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 130709078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).