(Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol

C9H18N2O — CID 88574109

IUPAC(Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol
SMILESC=CN(CC(C)C)/C(=C\N)CO
InChIInChI=1S/C9H18N2O/c1-4-11(6-8(2)3)9(5-10)7-12/h4-5,8,12H,1,6-7,10H2,2-3H3/b9-5-
InChIKeyPETZLCZVBKQOCY-UITAMQMPSA-N
MW170.26 g/mol
LogP0.88
Rot. Bonds5

About (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol

(Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol (PubChem CID 88574109) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol
PubChem CID88574109
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol
SMILESC=CN(CC(C)C)/C(=C\N)CO
InChIInChI=1S/C9H18N2O/c1-4-11(6-8(2)3)9(5-10)7-12/h4-5,8,12H,1,6-7,10H2,2-3H3/b9-5-
InChIKeyPETZLCZVBKQOCY-UITAMQMPSA-N
XLogP0.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-Methylpropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 129095818

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol?
The IUPAC name of (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol (CID 88574109) is (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol is C=CN(CC(C)C)/C(=C\N)CO.
What is the InChIKey of (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol?
The InChIKey is PETZLCZVBKQOCY-UITAMQMPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-11(6-8(2)3)9(5-10)7-12/h4-5,8,12H,1,6-7,10H2,2-3H3/b9-5-.
What are the key properties of (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol?
(Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol has a molecular weight of 170.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[ethenyl(2-methylpropyl)amino]prop-2-en-1-ol is sourced from PubChem (CID 88574109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).