(Z)-N-(methoxymethyl)but-2-en-2-amine

C6H13NO — CID 163470878

IUPAC(Z)-N-(methoxymethyl)but-2-en-2-amine
SMILESC/C=C(/C)NCOC
InChIInChI=1S/C6H13NO/c1-4-6(2)7-5-8-3/h4,7H,5H2,1-3H3/b6-4-
InChIKeyBWLNAFVTYPSTSE-XQRVVYSFSA-N
MW115.18 g/mol
LogP1.10
Rot. Bonds3

About (Z)-N-(methoxymethyl)but-2-en-2-amine

(Z)-N-(methoxymethyl)but-2-en-2-amine (PubChem CID 163470878) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-N-(methoxymethyl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(methoxymethyl)but-2-en-2-amine
PubChem CID163470878
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-N-(methoxymethyl)but-2-en-2-amine
SMILESC/C=C(/C)NCOC
InChIInChI=1S/C6H13NO/c1-4-6(2)7-5-8-3/h4,7H,5H2,1-3H3/b6-4-
InChIKeyBWLNAFVTYPSTSE-XQRVVYSFSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(E)-but-2-en-2-yl]amino]methanol
CID 130429621
(E)-N-ethylbut-2-en-2-amine
CID 18734703
1-ethylidene-3-(methoxymethyl)urea
CID 174418231
2-[[(E)-but-2-en-2-yl]amino]ethanol
CID 118563699
methyl N-(methoxymethyl)carbamate
CID 12599260
N'-[(Z)-but-2-en-2-yl]ethane-1,2-diamine
CID 55288959
1-fluoro-N-(methoxymethyl)ethenamine
CID 130438085
N-(methoxymethyl)-5-oxohex-2-enamide
CID 54120414
1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine
CID 163944896
N-[(Z)-but-2-en-2-yl]-2-methylidenebutan-1-amine
CID 138749552
N-[2-[[(Z)-but-2-en-2-yl]amino]ethyl]formamide
CID 156718256
N-(methoxymethyl)hexadecanamide
CID 59805196

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(methoxymethyl)but-2-en-2-amine?
The IUPAC name of (Z)-N-(methoxymethyl)but-2-en-2-amine (CID 163470878) is (Z)-N-(methoxymethyl)but-2-en-2-amine.
What is the SMILES notation for (Z)-N-(methoxymethyl)but-2-en-2-amine?
The canonical SMILES for (Z)-N-(methoxymethyl)but-2-en-2-amine is C/C=C(/C)NCOC.
What is the InChIKey of (Z)-N-(methoxymethyl)but-2-en-2-amine?
The InChIKey is BWLNAFVTYPSTSE-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(2)7-5-8-3/h4,7H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-N-(methoxymethyl)but-2-en-2-amine?
(Z)-N-(methoxymethyl)but-2-en-2-amine has a molecular weight of 115.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methoxymethyl)but-2-en-2-amine is sourced from PubChem (CID 163470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).