5-fluoro-3-methylnonan-5-amine

C10H22FN — CID 171524156

IUPAC5-fluoro-3-methylnonan-5-amine
SMILESCCCCC(N)(F)CC(C)CC
InChIInChI=1S/C10H22FN/c1-4-6-7-10(11,12)8-9(3)5-2/h9H,4-8,12H2,1-3H3
InChIKeyXUXBFODJCBWYTQ-UHFFFAOYSA-N
MW175.29 g/mol
LogP3.24
Rot. Bonds6

About 5-fluoro-3-methylnonan-5-amine

5-fluoro-3-methylnonan-5-amine (PubChem CID 171524156) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 5-fluoro-3-methylnonan-5-amine.

Molecular Properties

Compound Name5-fluoro-3-methylnonan-5-amine
PubChem CID171524156
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name5-fluoro-3-methylnonan-5-amine
SMILESCCCCC(N)(F)CC(C)CC
InChIInChI=1S/C10H22FN/c1-4-6-7-10(11,12)8-9(3)5-2/h9H,4-8,12H2,1-3H3
InChIKeyXUXBFODJCBWYTQ-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-3-methylpentane
CID 21020397
5-(2-methylpropyl)nonan-5-amine
CID 88761377
5,5-bis(methoxymethyl)-3-methylnonane
CID 141250163
3-fluoro-3,5-dimethylheptane
CID 123257807
(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine
CID 155485567
1,2,2-trifluoro-4-methylhexane
CID 145450268
5,5-difluorononane
CID 21410163
calcium;hydride;3-methylheptane
CID 174879723
5-ethylnonan-5-amine;hydrochloride
CID 174766496
1,1-difluoro-2-methylhexan-2-amine
CID 131163407
5-ethyl-3-methyl-5-propyloctane
CID 57492740
1-hydrazinyl-3-methylpentane-1,1-diamine
CID 175179038

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylnonan-5-amine?
The IUPAC name of 5-fluoro-3-methylnonan-5-amine (CID 171524156) is 5-fluoro-3-methylnonan-5-amine.
What is the SMILES notation for 5-fluoro-3-methylnonan-5-amine?
The canonical SMILES for 5-fluoro-3-methylnonan-5-amine is CCCCC(N)(F)CC(C)CC.
What is the InChIKey of 5-fluoro-3-methylnonan-5-amine?
The InChIKey is XUXBFODJCBWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-4-6-7-10(11,12)8-9(3)5-2/h9H,4-8,12H2,1-3H3.
What are the key properties of 5-fluoro-3-methylnonan-5-amine?
5-fluoro-3-methylnonan-5-amine has a molecular weight of 175.29 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylnonan-5-amine is sourced from PubChem (CID 171524156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).