2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine

C9H17NO — CID 103074722

IUPAC2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC/C=C/C
InChIInChI=1S/C9H17NO/c1-4-5-6-11-8-9(2)7-10-3/h4-5,10H,2,6-8H2,1,3H3/b5-4+
InChIKeySBFMTBCUIGRHNX-SNAWJCMRSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds6

About 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine

2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine (PubChem CID 103074722) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine
PubChem CID103074722
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC/C=C/C
InChIInChI=1S/C9H17NO/c1-4-5-6-11-8-9(2)7-10-3/h4-5,10H,2,6-8H2,1,3H3/b5-4+
InChIKeySBFMTBCUIGRHNX-SNAWJCMRSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine
CID 170112071
N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
CID 20806715
(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine
CID 59007331
3-prop-2-enoxy-N-propylpropan-1-amine
CID 62442457
N-but-2-enyl-4-methoxybut-2-en-1-amine
CID 72487914
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
2-(aminomethyl)-N'-methyl-2-(prop-2-enoxymethyl)propane-1,3-diamine
CID 138751550
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 142412370
(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
CID 143962949
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
(E)-4-methoxy-N-(2-methylpropyl)but-2-en-1-amine
CID 170150242

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine (CID 103074722) is 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine is C=C(CNC)COC/C=C/C.
What is the InChIKey of 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is SBFMTBCUIGRHNX-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-11-8-9(2)7-10-3/h4-5,10H,2,6-8H2,1,3H3/b5-4+.
What are the key properties of 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine?
2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103074722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).