1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine

C6H15FN2 — CID 130504617

IUPAC1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
SMILESCNC(C)CNCCF
InChIInChI=1S/C6H15FN2/c1-6(8-2)5-9-4-3-7/h6,8-9H,3-5H2,1-2H3
InChIKeyDNCLCAVNOGXCKC-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.15
Rot. Bonds5

About 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine

1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 130504617) has the molecular formula C6H15FN2 and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
PubChem CID130504617
Molecular FormulaC6H15FN2
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
SMILESCNC(C)CNCCF
InChIInChI=1S/C6H15FN2/c1-6(8-2)5-9-4-3-7/h6,8-9H,3-5H2,1-2H3
InChIKeyDNCLCAVNOGXCKC-UHFFFAOYSA-N
XLogP0.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
CID 147358419
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827
4-(2-fluoroethylamino)butan-2-ol
CID 80697261
methyl 3-(2-fluoroethylamino)-2-iodopropanoate
CID 103491977
1-(2,2-dimethylhydrazinyl)-N-methylpropan-2-amine
CID 123856605
N-ethyl-2-fluoroethanamine;hydrochloride
CID 19832652
4,4-difluoro-N-(2-fluoroethyl)butan-2-amine
CID 130643475
2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 62569751
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine (CID 130504617) is 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine is CNC(C)CNCCF.
What is the InChIKey of 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is DNCLCAVNOGXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2/c1-6(8-2)5-9-4-3-7/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine?
1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 134.20 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 130504617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).