(Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol

C9H18N2O — CID 165100006

IUPAC(Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol
SMILESC/C=C(\CC)N/C(=C\NC)CO
InChIInChI=1S/C9H18N2O/c1-4-8(5-2)11-9(7-12)6-10-3/h4,6,10-12H,5,7H2,1-3H3/b8-4+,9-6-
InChIKeyYDYNNRSVZNXEHH-IKWIAIJZSA-N
MW170.26 g/mol
LogP0.94
Rot. Bonds5

About (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol

(Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol (PubChem CID 165100006) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol
PubChem CID165100006
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol
SMILESC/C=C(\CC)N/C(=C\NC)CO
InChIInChI=1S/C9H18N2O/c1-4-8(5-2)11-9(7-12)6-10-3/h4,6,10-12H,5,7H2,1-3H3/b8-4+,9-6-
InChIKeyYDYNNRSVZNXEHH-IKWIAIJZSA-N
XLogP0.94
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol?
The IUPAC name of (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol (CID 165100006) is (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol is C/C=C(\CC)N/C(=C\NC)CO.
What is the InChIKey of (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol?
The InChIKey is YDYNNRSVZNXEHH-IKWIAIJZSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-8(5-2)11-9(7-12)6-10-3/h4,6,10-12H,5,7H2,1-3H3/b8-4+,9-6-.
What are the key properties of (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol?
(Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol has a molecular weight of 170.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)-2-[[(E)-pent-2-en-3-yl]amino]prop-2-en-1-ol is sourced from PubChem (CID 165100006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).