N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine

C9H18FN — CID 131208572

IUPACN-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(F)CCC1
InChIInChI=1S/C9H18FN/c1-8(2)6-11-7-9(10)4-3-5-9/h8,11H,3-7H2,1-2H3
InChIKeyABOORXIXAJTCDH-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds4

About N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine

N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine (PubChem CID 131208572) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine
PubChem CID131208572
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(F)CCC1
InChIInChI=1S/C9H18FN/c1-8(2)6-11-7-9(10)4-3-5-9/h8,11H,3-7H2,1-2H3
InChIKeyABOORXIXAJTCDH-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-fluorocyclobutyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine (CID 131208572) is N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1(F)CCC1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine?
The InChIKey is ABOORXIXAJTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)6-11-7-9(10)4-3-5-9/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine?
N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 131208572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).