(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine

C7H13FN2O — CID 146393262

IUPAC(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine
SMILESC=NN/C(F)=C(/OC)C(C)C
InChIInChI=1S/C7H13FN2O/c1-5(2)6(11-4)7(8)10-9-3/h5,10H,3H2,1-2,4H3/b7-6+
InChIKeyUPFNTAOHKMIUMN-VOTSOKGWSA-N
MW160.19 g/mol
LogP1.63
Rot. Bonds4

About (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine

(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine (PubChem CID 146393262) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine
PubChem CID146393262
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine
SMILESC=NN/C(F)=C(/OC)C(C)C
InChIInChI=1S/C7H13FN2O/c1-5(2)6(11-4)7(8)10-9-3/h5,10H,3H2,1-2,4H3/b7-6+
InChIKeyUPFNTAOHKMIUMN-VOTSOKGWSA-N
XLogP1.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-methyl-N-(methylideneamino)propanimidamide
CID 89187991
N-(1-methoxyethenyl)methanimine
CID 123326065
(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 171630884
3-(2-methylidenehydrazinyl)but-3-en-2-one
CID 163670052
N-(methylideneamino)prop-1-en-2-amine
CID 58051997
N-methoxymethanimine
CID 12869424
2-methoxy-3-methylbut-1-ene;molecular hydrogen
CID 159874902
N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
CID 126704572
methyl 2-carbonofluoridoyloxypropanoate
CID 87672150
methyl (1Z)-N,2-dimethylpropanehydrazonate
CID 139517370
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471

Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine (CID 146393262) is (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine is C=NN/C(F)=C(/OC)C(C)C.
What is the InChIKey of (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine?
The InChIKey is UPFNTAOHKMIUMN-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-5(2)6(11-4)7(8)10-9-3/h5,10H,3H2,1-2,4H3/b7-6+.
What are the key properties of (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine?
(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine has a molecular weight of 160.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine is sourced from PubChem (CID 146393262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).