ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol

C10H24N2O — CID 143707502

IUPACethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
SMILESC/C=C(\C)CNCC.C=CN.CO
InChIInChI=1S/C7H15N.C2H5N.CH4O/c1-4-7(3)6-8-5-2;1-2-3;1-2/h4,8H,5-6H2,1-3H3;2H,1,3H2;2H,1H3/b7-4+;;
InChIKeyWBCCJQSSRLYGPT-RDRKJGRWSA-N
MW188.31 g/mol
LogP1.26
Rot. Bonds3

About ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol

ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol (PubChem CID 143707502) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol.

Molecular Properties

Compound Nameethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
PubChem CID143707502
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
SMILESC/C=C(\C)CNCC.C=CN.CO
InChIInChI=1S/C7H15N.C2H5N.CH4O/c1-4-7(3)6-8-5-2;1-2-3;1-2/h4,8H,5-6H2,1-3H3;2H,1,3H2;2H,1H3/b7-4+;;
InChIKeyWBCCJQSSRLYGPT-RDRKJGRWSA-N
XLogP1.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine
CID 155175001
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
CID 155225919
2-(ethylamino)acetic acid;prop-2-en-1-amine
CID 88933155
3-cyclopentyl-N-ethyl-2-methylprop-2-en-1-amine
CID 79340901
(E)-N,2-diethylbut-2-en-1-amine
CID 144565288
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
CID 79341006
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine
CID 87373466
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
CID 166834532
(E)-N'-ethyl-N-[(E)-2-methylbut-2-enyl]hept-1-ene-1,7-diamine
CID 143441268

Frequently Asked Questions

What is the IUPAC name of ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol?
The IUPAC name of ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol (CID 143707502) is ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol.
What is the SMILES notation for ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol?
The canonical SMILES for ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol is C/C=C(\C)CNCC.C=CN.CO.
What is the InChIKey of ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol?
The InChIKey is WBCCJQSSRLYGPT-RDRKJGRWSA-N. The full InChI is InChI=1S/C7H15N.C2H5N.CH4O/c1-4-7(3)6-8-5-2;1-2-3;1-2/h4,8H,5-6H2,1-3H3;2H,1,3H2;2H,1H3/b7-4+;;.
What are the key properties of ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol?
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol has a molecular weight of 188.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol is sourced from PubChem (CID 143707502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).