3-ethyl-4-fluoro-4-methylpentan-1-amine

C8H18FN — CID 105429104

IUPAC3-ethyl-4-fluoro-4-methylpentan-1-amine
SMILESCCC(CCN)C(C)(C)F
InChIInChI=1S/C8H18FN/c1-4-7(5-6-10)8(2,3)9/h7H,4-6,10H2,1-3H3
InChIKeyJKBIGRZEOFXUSA-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.11
Rot. Bonds4

About 3-ethyl-4-fluoro-4-methylpentan-1-amine

3-ethyl-4-fluoro-4-methylpentan-1-amine (PubChem CID 105429104) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-4-fluoro-4-methylpentan-1-amine
PubChem CID105429104
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name3-ethyl-4-fluoro-4-methylpentan-1-amine
SMILESCCC(CCN)C(C)(C)F
InChIInChI=1S/C8H18FN/c1-4-7(5-6-10)8(2,3)9/h7H,4-6,10H2,1-3H3
InChIKeyJKBIGRZEOFXUSA-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
CID 105436305
2-(2-fluoropropan-2-yl)pentan-1-amine
CID 105429102
4-(2-fluoropropan-2-yl)heptane
CID 143311381
2-(trifluoromethyl)butan-1-amine
CID 10351789
3-ethyl-2,2-difluorohexane
CID 155700319
3,5-diethyl-4,4-difluoroheptane
CID 137390783
5-amino-3-(aminomethyl)-2-methylpentan-2-ol
CID 173461843
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
3-ethyl-5,5-dimethylhexan-1-amine
CID 83682161
2-(2-fluoropropan-2-yl)pentan-1-ol
CID 84763082
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-4-methylpentan-1-amine?
The IUPAC name of 3-ethyl-4-fluoro-4-methylpentan-1-amine (CID 105429104) is 3-ethyl-4-fluoro-4-methylpentan-1-amine.
What is the SMILES notation for 3-ethyl-4-fluoro-4-methylpentan-1-amine?
The canonical SMILES for 3-ethyl-4-fluoro-4-methylpentan-1-amine is CCC(CCN)C(C)(C)F.
What is the InChIKey of 3-ethyl-4-fluoro-4-methylpentan-1-amine?
The InChIKey is JKBIGRZEOFXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-4-7(5-6-10)8(2,3)9/h7H,4-6,10H2,1-3H3.
What are the key properties of 3-ethyl-4-fluoro-4-methylpentan-1-amine?
3-ethyl-4-fluoro-4-methylpentan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-4-methylpentan-1-amine is sourced from PubChem (CID 105429104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).