2-N-fluoro-4-methylpentane-1,2-diamine

C6H15FN2 — CID 123548414

IUPAC2-N-fluoro-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)NF
InChIInChI=1S/C6H15FN2/c1-5(2)3-6(4-8)9-7/h5-6,9H,3-4,8H2,1-2H3
InChIKeyLXHVQHXDXSZWJJ-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.83
Rot. Bonds4

About 2-N-fluoro-4-methylpentane-1,2-diamine

2-N-fluoro-4-methylpentane-1,2-diamine (PubChem CID 123548414) has the molecular formula C6H15FN2 and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-N-fluoro-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-fluoro-4-methylpentane-1,2-diamine
PubChem CID123548414
Molecular FormulaC6H15FN2
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name2-N-fluoro-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)NF
InChIInChI=1S/C6H15FN2/c1-5(2)3-6(4-8)9-7/h5-6,9H,3-4,8H2,1-2H3
InChIKeyLXHVQHXDXSZWJJ-UHFFFAOYSA-N
XLogP0.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066978
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475600
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
CID 168776227
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 104606344
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
CID 119588676
1-fluoro-N,4-dimethylpentan-2-amine
CID 112708643

Frequently Asked Questions

What is the IUPAC name of 2-N-fluoro-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-fluoro-4-methylpentane-1,2-diamine (CID 123548414) is 2-N-fluoro-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-fluoro-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-fluoro-4-methylpentane-1,2-diamine is CC(C)CC(CN)NF.
What is the InChIKey of 2-N-fluoro-4-methylpentane-1,2-diamine?
The InChIKey is LXHVQHXDXSZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2/c1-5(2)3-6(4-8)9-7/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 2-N-fluoro-4-methylpentane-1,2-diamine?
2-N-fluoro-4-methylpentane-1,2-diamine has a molecular weight of 134.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-fluoro-4-methylpentane-1,2-diamine is sourced from PubChem (CID 123548414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).