4-amino-2-(fluoromethyl)-N'-methylbutanimidamide

C6H14FN3 — CID 167223913

IUPAC4-amino-2-(fluoromethyl)-N'-methylbutanimidamide
SMILESC/N=C(\N)C(CF)CCN
InChIInChI=1S/C6H14FN3/c1-10-6(9)5(4-7)2-3-8/h5H,2-4,8H2,1H3,(H2,9,10)
InChIKeyCQZKAYUKHMJNRS-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.09
Rot. Bonds4

About 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide

4-amino-2-(fluoromethyl)-N'-methylbutanimidamide (PubChem CID 167223913) has the molecular formula C6H14FN3 and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide.

Molecular Properties

Compound Name4-amino-2-(fluoromethyl)-N'-methylbutanimidamide
PubChem CID167223913
Molecular FormulaC6H14FN3
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC Name4-amino-2-(fluoromethyl)-N'-methylbutanimidamide
SMILESC/N=C(\N)C(CF)CCN
InChIInChI=1S/C6H14FN3/c1-10-6(9)5(4-7)2-3-8/h5H,2-4,8H2,1H3,(H2,9,10)
InChIKeyCQZKAYUKHMJNRS-UHFFFAOYSA-N
XLogP-0.09
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 9942127
3-methyl-3,4-dihydro-2H-pyrrol-5-amine
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3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine
CID 19049163
3-methyl-3,4-dihydro-2H-pyrrol-5-amine hydrochloride
CID 19049080
4-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 19049096
N-(4-aminobutyl)-2-fluoro-ethanimidamide
CID 55284003
3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 18983358
3-(Fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine
CID 18983405
3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 18983424
4-fluoro-N'-methylbutanimidamide
CID 53820824
N'-butyl-2-fluoroethanimidamide
CID 89535473
N'-(3-fluoro-2-methylpropyl)ethanimidamide
CID 90071797

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide?
The IUPAC name of 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide (CID 167223913) is 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide.
What is the SMILES notation for 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide?
The canonical SMILES for 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide is C/N=C(\N)C(CF)CCN.
What is the InChIKey of 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide?
The InChIKey is CQZKAYUKHMJNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3/c1-10-6(9)5(4-7)2-3-8/h5H,2-4,8H2,1H3,(H2,9,10).
What are the key properties of 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide?
4-amino-2-(fluoromethyl)-N'-methylbutanimidamide has a molecular weight of 147.20 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(fluoromethyl)-N'-methylbutanimidamide is sourced from PubChem (CID 167223913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).