(E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol

C7H16N2O — CID 143974729

IUPAC(E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol
SMILESCCNC/C(CN)=C(\C)O
InChIInChI=1S/C7H16N2O/c1-3-9-5-7(4-8)6(2)10/h9-10H,3-5,8H2,1-2H3/b7-6+
InChIKeyKITDVMXAQZETGD-VOTSOKGWSA-N
MW144.22 g/mol
LogP0.39
Rot. Bonds4

About (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol

(E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol (PubChem CID 143974729) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol.

Molecular Properties

Compound Name(E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol
PubChem CID143974729
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol
SMILESCCNC/C(CN)=C(\C)O
InChIInChI=1S/C7H16N2O/c1-3-9-5-7(4-8)6(2)10/h9-10H,3-5,8H2,1-2H3/b7-6+
InChIKeyKITDVMXAQZETGD-VOTSOKGWSA-N
XLogP0.39
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)acetic acid;prop-2-en-1-amine
CID 88933155
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
acetic acid;N-ethylethanamine;methanol;hydrate
CID 159655795
N'-ethylmethanediamine;methane
CID 160877830
azane;ethanamine;N-ethylethanamine;propane
CID 160512840
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine
CID 89043790
2-(ethylamino)ethanimidate
CID 148546390
dimethylsilane;N-ethylethanamine
CID 158306099
aminomethyl(ethylaminomethyl)phosphinic acid
CID 139414090
(E)-N,2-diethylbut-2-en-1-amine
CID 144565288

Frequently Asked Questions

What is the IUPAC name of (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol?
The IUPAC name of (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol (CID 143974729) is (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol.
What is the SMILES notation for (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol?
The canonical SMILES for (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol is CCNC/C(CN)=C(\C)O.
What is the InChIKey of (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol?
The InChIKey is KITDVMXAQZETGD-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-9-5-7(4-8)6(2)10/h9-10H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol?
(E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol has a molecular weight of 144.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(aminomethyl)-4-(ethylamino)but-2-en-2-ol is sourced from PubChem (CID 143974729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).