(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine

C13H24N2O — CID 143265068

IUPAC(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine
SMILESC=C/C=N/C=C(\C)C(C)CN(C)CCOC
InChIInChI=1S/C13H24N2O/c1-6-7-14-10-12(2)13(3)11-15(4)8-9-16-5/h6-7,10,13H,1,8-9,11H2,2-5H3/b12-10+,14-7+
InChIKeyMZSUTQKMJWPTIB-FEYAHQNISA-N
MW224.35 g/mol
LogP2.36
Rot. Bonds8

About (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine

(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine (PubChem CID 143265068) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine
PubChem CID143265068
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine
SMILESC=C/C=N/C=C(\C)C(C)CN(C)CCOC
InChIInChI=1S/C13H24N2O/c1-6-7-14-10-12(2)13(3)11-15(4)8-9-16-5/h6-7,10,13H,1,8-9,11H2,2-5H3/b12-10+,14-7+
InChIKeyMZSUTQKMJWPTIB-FEYAHQNISA-N
XLogP2.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine with MolForge

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Related Compounds

1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-cyclopentyl-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 103159826
(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine
CID 166649643
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
CID 64825404
(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol
CID 163779494
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-ol
CID 66452834
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine (CID 143265068) is (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine is C=C/C=N/C=C(\C)C(C)CN(C)CCOC.
What is the InChIKey of (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine?
The InChIKey is MZSUTQKMJWPTIB-FEYAHQNISA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-7-14-10-12(2)13(3)11-15(4)8-9-16-5/h6-7,10,13H,1,8-9,11H2,2-5H3/b12-10+,14-7+.
What are the key properties of (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine?
(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine is sourced from PubChem (CID 143265068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).