(1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine

C10H18FN — CID 115013909

IUPAC(1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine
SMILESCC1(F)CC(CN)(C2CCC2)C1
InChIInChI=1S/C10H18FN/c1-9(11)5-10(6-9,7-12)8-3-2-4-8/h8H,2-7,12H2,1H3
InChIKeyAVQANJHLOMSMJI-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.25
Rot. Bonds2

About (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine

(1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine (PubChem CID 115013909) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine
PubChem CID115013909
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine
SMILESCC1(F)CC(CN)(C2CCC2)C1
InChIInChI=1S/C10H18FN/c1-9(11)5-10(6-9,7-12)8-3-2-4-8/h8H,2-7,12H2,1H3
InChIKeyAVQANJHLOMSMJI-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-Methylpropyl)cyclobutyl]methanamine
CID 28064572
3-Cyclobutyl-2,2-dimethylpropan-1-amine
CID 86277120
(1-Cyclobutylcyclobutyl)methanamine hydrochloride
CID 121553109
2-(Spiro(3.3)heptan-2-yl)ethan-1-amine
CID 138040587
{Spiro[3.3]heptan-1-yl}methanamine hydrochloride
CID 139026678
{6,6-Dimethylspiro[3.3]heptan-2-yl}methanamine hydrochloride
CID 145915616
{Dispiro[3.0.3^{5}.1^{4}]nonan-2-yl}methanamine
CID 146155349
1-{6,6-Difluoro-2-methylspiro[3.3]heptan-2-yl}methanamine hydrochloride
CID 155822026
(8-Fluorocuban-1-yl)methanamine
CID 124286323
(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine
CID 146557752
(2S)-2-[(2R)-2-fluoropropyl]-2,5-dimethylhexan-1-amine
CID 157181251
2-(4-Fluorocyclohexyl)-2-methylpropan-1-amine
CID 163897130

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine?
The IUPAC name of (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine (CID 115013909) is (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine.
What is the SMILES notation for (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine?
The canonical SMILES for (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine is CC1(F)CC(CN)(C2CCC2)C1.
What is the InChIKey of (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine?
The InChIKey is AVQANJHLOMSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(11)5-10(6-9,7-12)8-3-2-4-8/h8H,2-7,12H2,1H3.
What are the key properties of (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine?
(1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine has a molecular weight of 171.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-3-fluoro-3-methylcyclobutyl)methanamine is sourced from PubChem (CID 115013909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).