ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine

C12H28FN — CID 176976752

IUPACethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
SMILESCC.CCN(C)C(C)(CC)CC(C)F
InChIInChI=1S/C10H22FN.C2H6/c1-6-10(4,8-9(3)11)12(5)7-2;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyFXKDSWDYZPEWOY-UHFFFAOYSA-N
MW205.36 g/mol
LogP3.88
Rot. Bonds5

About ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine

ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine (PubChem CID 176976752) has the molecular formula C12H28FN and a molecular weight of 205.36 g/mol. Its IUPAC name is ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine.

Molecular Properties

Compound Nameethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
PubChem CID176976752
Molecular FormulaC12H28FN
Molecular Weight205.36 g/mol
Exact Mass205.22
IUPAC Nameethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
SMILESCC.CCN(C)C(C)(CC)CC(C)F
InChIInChI=1S/C10H22FN.C2H6/c1-6-10(4,8-9(3)11)12(5)7-2;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyFXKDSWDYZPEWOY-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-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

N-ethyl-N,3,5-trimethylheptan-3-amine
CID 155392706
N-ethyl-N,3-dimethylheptan-3-amine
CID 123202757
(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
CID 174323846
(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine
CID 146347194
N-ethyl-N-methyl-2-propan-2-ylphosphanylpropan-2-amine
CID 143837167
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
N-ethyl-N,2-dimethylhexan-2-amine
CID 87916195
N,4-diethyl-N,2,4-trimethylhexan-1-amine
CID 123611396
3-N,3-N,3,6-tetramethylheptane-3,4-diamine
CID 79063853
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
3-ethyl-N,N,2,4-tetramethylpentan-3-amine
CID 163577690
1,1-difluoro-3,3-dimethylpentane
CID 170027103

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
The IUPAC name of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine (CID 176976752) is ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine.
What is the SMILES notation for ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
The canonical SMILES for ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine is CC.CCN(C)C(C)(CC)CC(C)F.
What is the InChIKey of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
The InChIKey is FXKDSWDYZPEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN.C2H6/c1-6-10(4,8-9(3)11)12(5)7-2;1-2/h9H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine has a molecular weight of 205.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine is sourced from PubChem (CID 176976752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).