N-(3-fluoropropyl)-2-methyloxan-4-amine

C9H18FNO — CID 103911390

IUPACN-(3-fluoropropyl)-2-methyloxan-4-amine
SMILESCC1CC(NCCCF)CCO1
InChIInChI=1S/C9H18FNO/c1-8-7-9(3-6-12-8)11-5-2-4-10/h8-9,11H,2-7H2,1H3
InChIKeyNGAKNBGHLGIBCS-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About N-(3-fluoropropyl)-2-methyloxan-4-amine

N-(3-fluoropropyl)-2-methyloxan-4-amine (PubChem CID 103911390) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-methyloxan-4-amine
PubChem CID103911390
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-(3-fluoropropyl)-2-methyloxan-4-amine
SMILESCC1CC(NCCCF)CCO1
InChIInChI=1S/C9H18FNO/c1-8-7-9(3-6-12-8)11-5-2-4-10/h8-9,11H,2-7H2,1H3
InChIKeyNGAKNBGHLGIBCS-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Propan-2-yl)oxan-4-amine
CID 21709941
N,2,6-trimethyloxan-4-amine
CID 70343666
N-Propyltetrahydro-2H-pyran-4-amine
CID 18348908
N,2-dimethyloxan-4-amine hydrochloride
CID 154857191
Methyl-(2-methyl-tetrahydro-pyran-4-yl)-amine
CID 21919227
N-cyclohexyl-3-fluorooxan-4-amine
CID 58035402
4-Butoxy-3-fluoropiperidine
CID 122536938
3-fluoro-N-propan-2-yloxan-4-amine
CID 124162760
N-ethyl-3-fluorooxan-4-amine
CID 139538368
2-fluoro-N,N,6-trimethyloxan-4-amine
CID 144042807
(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine
CID 145341735
(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
CID 153498427

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-methyloxan-4-amine?
The IUPAC name of N-(3-fluoropropyl)-2-methyloxan-4-amine (CID 103911390) is N-(3-fluoropropyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-methyloxan-4-amine is CC1CC(NCCCF)CCO1.
What is the InChIKey of N-(3-fluoropropyl)-2-methyloxan-4-amine?
The InChIKey is NGAKNBGHLGIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8-7-9(3-6-12-8)11-5-2-4-10/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(3-fluoropropyl)-2-methyloxan-4-amine?
N-(3-fluoropropyl)-2-methyloxan-4-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 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-methyloxan-4-amine is sourced from PubChem (CID 103911390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).