N-fluoro-N,5-dimethylhexan-3-amine

C8H18FN — CID 134567034

IUPACN-fluoro-N,5-dimethylhexan-3-amine
SMILESCCC(CC(C)C)N(C)F
InChIInChI=1S/C8H18FN/c1-5-8(10(4)9)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyVLASTQNKPZVJLV-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.63
Rot. Bonds4

About N-fluoro-N,5-dimethylhexan-3-amine

N-fluoro-N,5-dimethylhexan-3-amine (PubChem CID 134567034) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-fluoro-N,5-dimethylhexan-3-amine.

Molecular Properties

Compound NameN-fluoro-N,5-dimethylhexan-3-amine
PubChem CID134567034
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-fluoro-N,5-dimethylhexan-3-amine
SMILESCCC(CC(C)C)N(C)F
InChIInChI=1S/C8H18FN/c1-5-8(10(4)9)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyVLASTQNKPZVJLV-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N,5-dimethylhexan-3-amine?
The IUPAC name of N-fluoro-N,5-dimethylhexan-3-amine (CID 134567034) is N-fluoro-N,5-dimethylhexan-3-amine.
What is the SMILES notation for N-fluoro-N,5-dimethylhexan-3-amine?
The canonical SMILES for N-fluoro-N,5-dimethylhexan-3-amine is CCC(CC(C)C)N(C)F.
What is the InChIKey of N-fluoro-N,5-dimethylhexan-3-amine?
The InChIKey is VLASTQNKPZVJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-5-8(10(4)9)6-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of N-fluoro-N,5-dimethylhexan-3-amine?
N-fluoro-N,5-dimethylhexan-3-amine has a molecular weight of 147.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N,5-dimethylhexan-3-amine is sourced from PubChem (CID 134567034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).