[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol

C7H16N2O — CID 154981884

IUPAC[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol
SMILESCC/C(NCO)=C(\C)NC
InChIInChI=1S/C7H16N2O/c1-4-7(9-5-10)6(2)8-3/h8-10H,4-5H2,1-3H3/b7-6-
InChIKeyXDWCAKJYXHCFQN-SREVYHEPSA-N
MW144.22 g/mol
LogP0.39
Rot. Bonds4

About [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol

[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol (PubChem CID 154981884) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol.

Molecular Properties

Compound Name[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol
PubChem CID154981884
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol
SMILESCC/C(NCO)=C(\C)NC
InChIInChI=1S/C7H16N2O/c1-4-7(9-5-10)6(2)8-3/h8-10H,4-5H2,1-3H3/b7-6-
InChIKeyXDWCAKJYXHCFQN-SREVYHEPSA-N
XLogP0.39
TPSA44.29 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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-N,4-dimethylhept-3-en-3-amine
CID 170734903
(E)-2-methyl-3-(methylamino)pent-2-enoic acid
CID 87166202
(Z)-2-methyl-3-(methylamino)pent-2-enamide
CID 19089595
(Z)-N-ethyl-2-fluoropent-2-en-3-amine
CID 142967863
(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine
CID 144564528
2-[(1-methoxy-2-methyl-1-oxopent-2-en-3-yl)amino]acetic acid
CID 173295752
[[(E)-but-2-en-2-yl]amino]methanol
CID 130429621
(Z)-4-(methylamino)-3-sulfanylpent-3-en-1-ol
CID 143044827
ethanol;tin(2+)
CID 162004830
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
ethanol;N-methylmethanamine;hydrobromide
CID 174899612
ethanol;N-methylmethanamine;hydrate
CID 173447410

Frequently Asked Questions

What is the IUPAC name of [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol?
The IUPAC name of [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol (CID 154981884) is [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol.
What is the SMILES notation for [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol?
The canonical SMILES for [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol is CC/C(NCO)=C(\C)NC.
What is the InChIKey of [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol?
The InChIKey is XDWCAKJYXHCFQN-SREVYHEPSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-7(9-5-10)6(2)8-3/h8-10H,4-5H2,1-3H3/b7-6-.
What are the key properties of [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol?
[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol 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 [[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol is sourced from PubChem (CID 154981884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).