(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol

C7H13NO — CID 156745357

IUPAC(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol
SMILESC/C=C\C(NC)=C(/C)O
InChIInChI=1S/C7H13NO/c1-4-5-7(8-3)6(2)9/h4-5,8-9H,1-3H3/b5-4-,7-6-
InChIKeyRBGDUDRNZUTORS-RZSVFLSASA-N
MW127.19 g/mol
LogP1.57
Rot. Bonds2

About (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol

(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol (PubChem CID 156745357) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol
PubChem CID156745357
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol
SMILESC/C=C\C(NC)=C(/C)O
InChIInChI=1S/C7H13NO/c1-4-5-7(8-3)6(2)9/h4-5,8-9H,1-3H3/b5-4-,7-6-
InChIKeyRBGDUDRNZUTORS-RZSVFLSASA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
CID 170199054
but-2-enoic acid;N-methylmethanamine;hydrochloride
CID 173091669
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
CID 145229389
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
N-methyl-2-methylidenepent-3-enamide
CID 123693857
(Z,3E)-3-(methylaminomethylidene)hex-4-en-2-one
CID 174339703
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]aniline
CID 171844731
(E)-but-2-enoic acid
CID 637090
pent-3-en-2-one
CID 12248
N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide
CID 143284548

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
The IUPAC name of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol (CID 156745357) is (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
The canonical SMILES for (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol is C/C=C\C(NC)=C(/C)O.
What is the InChIKey of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
The InChIKey is RBGDUDRNZUTORS-RZSVFLSASA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(8-3)6(2)9/h4-5,8-9H,1-3H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol is sourced from PubChem (CID 156745357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).