N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine

C10H20FNO — CID 115908276

IUPACN-(3-fluoropropyl)-2,6-dimethyloxan-4-amine
SMILESCC1CC(NCCCF)CC(C)O1
InChIInChI=1S/C10H20FNO/c1-8-6-10(7-9(2)13-8)12-5-3-4-11/h8-10,12H,3-7H2,1-2H3
InChIKeyFJDGCFAHJZGFQZ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds4

About N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine

N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine (PubChem CID 115908276) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2,6-dimethyloxan-4-amine
PubChem CID115908276
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-(3-fluoropropyl)-2,6-dimethyloxan-4-amine
SMILESCC1CC(NCCCF)CC(C)O1
InChIInChI=1S/C10H20FNO/c1-8-6-10(7-9(2)13-8)12-5-3-4-11/h8-10,12H,3-7H2,1-2H3
InChIKeyFJDGCFAHJZGFQZ-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-fluoropropyl)-2,6-dimethyloxan-4-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

Methyl[2-(oxan-2-yl)ethyl]amine
CID 45791005
N,2,6-trimethyloxan-4-amine
CID 70343666
N,2-dimethyloxan-4-amine hydrochloride
CID 154857191
N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
CID 93468164
Methyl-(2-methyl-tetrahydro-pyran-4-yl)-amine
CID 21919227
3-fluoro-N-propan-2-yloxan-4-amine
CID 124162760
(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine
CID 145341735
(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
CID 153498427
(2R)-N-methyl-2-(trifluoromethyl)oxan-4-amine
CID 166854554
2-Ethyl-3-fluoro-5-methoxypiperidine
CID 167076426
1-(2,6-dimethyloxan-4-yl)-3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 169632613
(3S,4R)-1-(2,6-dimethyloxan-4-yl)-3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 169632616

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine (CID 115908276) is N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine is CC1CC(NCCCF)CC(C)O1.
What is the InChIKey of N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine?
The InChIKey is FJDGCFAHJZGFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8-6-10(7-9(2)13-8)12-5-3-4-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine?
N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 115908276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).