(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol

C7H13NO — CID 134266797

IUPAC(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
SMILESC=C/C=C(\C)C(O)NC
InChIInChI=1S/C7H13NO/c1-4-5-6(2)7(9)8-3/h4-5,7-9H,1H2,2-3H3/b6-5+
InChIKeyCDFZFYJRPHIQKY-AATRIKPKSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds3

About (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol

(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol (PubChem CID 134266797) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
PubChem CID134266797
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
SMILESC=C/C=C(\C)C(O)NC
InChIInChI=1S/C7H13NO/c1-4-5-6(2)7(9)8-3/h4-5,7-9H,1H2,2-3H3/b6-5+
InChIKeyCDFZFYJRPHIQKY-AATRIKPKSA-N
XLogP0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
CID 145477828
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(3E,5S)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 58597093
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol (CID 134266797) is (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol is C=C/C=C(\C)C(O)NC.
What is the InChIKey of (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol?
The InChIKey is CDFZFYJRPHIQKY-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6(2)7(9)8-3/h4-5,7-9H,1H2,2-3H3/b6-5+.
What are the key properties of (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol?
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol is sourced from PubChem (CID 134266797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).