2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol

C8H18N2O3 — CID 166849383

IUPAC2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol
SMILESCO/C=C(\NC(O)CN)C(C)OC
InChIInChI=1S/C8H18N2O3/c1-6(13-3)7(5-12-2)10-8(11)4-9/h5-6,8,10-11H,4,9H2,1-3H3/b7-5-
InChIKeyIMSMDMBJDZICFM-ALCCZGGFSA-N
MW190.24 g/mol
LogP-0.62
Rot. Bonds6

About 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol

2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol (PubChem CID 166849383) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol
PubChem CID166849383
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol
SMILESCO/C=C(\NC(O)CN)C(C)OC
InChIInChI=1S/C8H18N2O3/c1-6(13-3)7(5-12-2)10-8(11)4-9/h5-6,8,10-11H,4,9H2,1-3H3/b7-5-
InChIKeyIMSMDMBJDZICFM-ALCCZGGFSA-N
XLogP-0.62
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl-dihydroxy-methylphosphanium
CID 6395030
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
4-methoxy-3-methylpent-2-en-1-amine
CID 104865208
2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine
CID 57205368
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069
2-(1,2-dimethoxyethenylsilyl)ethanamine
CID 123537400
ethane;1-methoxyethanol
CID 157348595
methyl 2-(2-aminoethoxy)propanoate;hydrochloride
CID 175589324
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
3-amino-1-(methylamino)propan-1-ol
CID 54301094
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-4-methylpentanoate
CID 129012241
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol?
The IUPAC name of 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol (CID 166849383) is 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol.
What is the SMILES notation for 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol?
The canonical SMILES for 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol is CO/C=C(\NC(O)CN)C(C)OC.
What is the InChIKey of 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol?
The InChIKey is IMSMDMBJDZICFM-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-6(13-3)7(5-12-2)10-8(11)4-9/h5-6,8,10-11H,4,9H2,1-3H3/b7-5-.
What are the key properties of 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol?
2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol has a molecular weight of 190.24 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol is sourced from PubChem (CID 166849383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).