2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine

C10H20FNO — CID 116500631

IUPAC2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
SMILESCOCCC(C)C(F)(CN)C1CC1
InChIInChI=1S/C10H20FNO/c1-8(5-6-13-2)10(11,7-12)9-3-4-9/h8-9H,3-7,12H2,1-2H3
InChIKeyUTNSVEXFBRTZEJ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.74
Rot. Bonds6

About 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine

2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine (PubChem CID 116500631) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
PubChem CID116500631
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
SMILESCOCCC(C)C(F)(CN)C1CC1
InChIInChI=1S/C10H20FNO/c1-8(5-6-13-2)10(11,7-12)9-3-4-9/h8-9H,3-7,12H2,1-2H3
InChIKeyUTNSVEXFBRTZEJ-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
CID 116500623
[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105338042
2-cyclohexyl-5-methoxy-3-methylpentan-2-ol
CID 114795055
3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
CID 105428835
N-(2-cyclopropylpropan-2-yl)-4-methoxybutan-2-amine
CID 103931910
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185029
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
1-(cyclopropylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500216
2-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 64919093
4-cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 116500620
1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103181567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine (CID 116500631) is 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine is COCCC(C)C(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
The InChIKey is UTNSVEXFBRTZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(5-6-13-2)10(11,7-12)9-3-4-9/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine is sourced from PubChem (CID 116500631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).