(2E)-2-(methylaminomethylidene)pentan-1-ol

C7H15NO — CID 170108707

IUPAC(2E)-2-(methylaminomethylidene)pentan-1-ol
SMILESCCC/C(=C\NC)CO
InChIInChI=1S/C7H15NO/c1-3-4-7(6-9)5-8-2/h5,8-9H,3-4,6H2,1-2H3/b7-5+
InChIKeyYLYLDUDGRAKENL-FNORWQNLSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds4

About (2E)-2-(methylaminomethylidene)pentan-1-ol

(2E)-2-(methylaminomethylidene)pentan-1-ol (PubChem CID 170108707) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2E)-2-(methylaminomethylidene)pentan-1-ol.

Molecular Properties

Compound Name(2E)-2-(methylaminomethylidene)pentan-1-ol
PubChem CID170108707
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2E)-2-(methylaminomethylidene)pentan-1-ol
SMILESCCC/C(=C\NC)CO
InChIInChI=1S/C7H15NO/c1-3-4-7(6-9)5-8-2/h5,8-9H,3-4,6H2,1-2H3/b7-5+
InChIKeyYLYLDUDGRAKENL-FNORWQNLSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-propylbut-2-ene-1,4-diol
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(Z)-5-ethylidene-3-methyloct-2-ene
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butane;N-methylmethanamine;hydrochloride
CID 174856882
N-methylmethanamine;pent-1-en-2-ol
CID 143709294
ethanol;N-methylmethanamine;hydrate
CID 173447410
ethanol;N-methylmethanamine;hydrobromide
CID 174899612
(E)-3-(hydroxymethyl)hept-2-enenitrile
CID 10844449
2-methyl-1-(methylamino)hept-1-en-3-one
CID 71321613
(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine
CID 174271383
methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine
CID 153389216
2-methyl-4-methylidenehept-1-ene
CID 58948030
(E)-4,5-dimethyloct-4-ene
CID 12714364

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methylaminomethylidene)pentan-1-ol?
The IUPAC name of (2E)-2-(methylaminomethylidene)pentan-1-ol (CID 170108707) is (2E)-2-(methylaminomethylidene)pentan-1-ol.
What is the SMILES notation for (2E)-2-(methylaminomethylidene)pentan-1-ol?
The canonical SMILES for (2E)-2-(methylaminomethylidene)pentan-1-ol is CCC/C(=C\NC)CO.
What is the InChIKey of (2E)-2-(methylaminomethylidene)pentan-1-ol?
The InChIKey is YLYLDUDGRAKENL-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-7(6-9)5-8-2/h5,8-9H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (2E)-2-(methylaminomethylidene)pentan-1-ol?
(2E)-2-(methylaminomethylidene)pentan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methylaminomethylidene)pentan-1-ol is sourced from PubChem (CID 170108707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).