N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide

C10H18FN3O2 — CID 143827387

IUPACN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide
SMILESC/N=C(N)/C(F)=C\N(C=O)C(C)OC(C)C
InChIInChI=1S/C10H18FN3O2/c1-7(2)16-8(3)14(6-15)5-9(11)10(12)13-4/h5-8H,1-4H3,(H2,12,13)/b9-5+
InChIKeyYSVZOLWSYXJYCD-WEVVVXLNSA-N
MW231.27 g/mol
LogP1.01
Rot. Bonds6

About N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide

N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide (PubChem CID 143827387) has the molecular formula C10H18FN3O2 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide.

Molecular Properties

Compound NameN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide
PubChem CID143827387
Molecular FormulaC10H18FN3O2
Molecular Weight231.27 g/mol
Exact Mass231.14
IUPAC NameN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide
SMILESC/N=C(N)/C(F)=C\N(C=O)C(C)OC(C)C
InChIInChI=1S/C10H18FN3O2/c1-7(2)16-8(3)14(6-15)5-9(11)10(12)13-4/h5-8H,1-4H3,(H2,12,13)/b9-5+
InChIKeyYSVZOLWSYXJYCD-WEVVVXLNSA-N
XLogP1.01
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
4-Amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
CID 130330273
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide
CID 143827353
4-Amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one
CID 143827367
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane
CID 143827386
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide;ethane
CID 143827400

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide?
The IUPAC name of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide (CID 143827387) is N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide.
What is the SMILES notation for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide?
The canonical SMILES for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide is C/N=C(N)/C(F)=C\N(C=O)C(C)OC(C)C.
What is the InChIKey of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide?
The InChIKey is YSVZOLWSYXJYCD-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18FN3O2/c1-7(2)16-8(3)14(6-15)5-9(11)10(12)13-4/h5-8H,1-4H3,(H2,12,13)/b9-5+.
What are the key properties of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide?
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide has a molecular weight of 231.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide is sourced from PubChem (CID 143827387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).