2-fluoro-N,N,4-trimethylpentan-1-amine

C8H18FN — CID 170688420

IUPAC2-fluoro-N,N,4-trimethylpentan-1-amine
SMILESCC(C)CC(F)CN(C)C
InChIInChI=1S/C8H18FN/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6H2,1-4H3
InChIKeyZYVSVMMEDHSERE-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.93
Rot. Bonds4

About 2-fluoro-N,N,4-trimethylpentan-1-amine

2-fluoro-N,N,4-trimethylpentan-1-amine (PubChem CID 170688420) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-fluoro-N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-fluoro-N,N,4-trimethylpentan-1-amine
PubChem CID170688420
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name2-fluoro-N,N,4-trimethylpentan-1-amine
SMILESCC(C)CC(F)CN(C)C
InChIInChI=1S/C8H18FN/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6H2,1-4H3
InChIKeyZYVSVMMEDHSERE-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N,N,4-trimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-fluoro-1-methoxy-4-methylpentane
CID 170593191
N,N,2,4-tetramethylpentan-1-amine
CID 58758115
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
fluoro-(2-fluoro-4-methylpentyl)-methylphosphane
CID 146579603
2,4-dimethylpentane
CID 157050020
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
CID 21287725
CID 21287725
N-tert-butyl-2-fluoro-4-methylpentan-1-amine
CID 107446526
2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
CID 170275915
1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane
CID 112689006

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N,4-trimethylpentan-1-amine?
The IUPAC name of 2-fluoro-N,N,4-trimethylpentan-1-amine (CID 170688420) is 2-fluoro-N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 2-fluoro-N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 2-fluoro-N,N,4-trimethylpentan-1-amine is CC(C)CC(F)CN(C)C.
What is the InChIKey of 2-fluoro-N,N,4-trimethylpentan-1-amine?
The InChIKey is ZYVSVMMEDHSERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-N,N,4-trimethylpentan-1-amine?
2-fluoro-N,N,4-trimethylpentan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 170688420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).