(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine

C7H13NO — CID 167020251

IUPAC(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/C)C(N)OC
InChIInChI=1S/C7H13NO/c1-4-5-6(2)7(8)9-3/h4-5,7H,1,8H2,2-3H3/b6-5-
InChIKeyAGWWINIASDMLTO-WAYWQWQTSA-N
MW127.19 g/mol
LogP1.05
Rot. Bonds3

About (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine

(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine (PubChem CID 167020251) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
PubChem CID167020251
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/C)C(N)OC
InChIInChI=1S/C7H13NO/c1-4-5-6(2)7(8)9-3/h4-5,7H,1,8H2,2-3H3/b6-5-
InChIKeyAGWWINIASDMLTO-WAYWQWQTSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
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

(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
2-penta-2,4-dien-2-yloxyethanol
CID 123362544
3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine
CID 91360087
(3E)-3-methylhexa-3,5-diene-1,2-diamine;prop-1-yne
CID 143110018
2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
CID 171093400
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane
CID 142711166
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine (CID 167020251) is (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine is C=C/C=C(/C)C(N)OC.
What is the InChIKey of (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine?
The InChIKey is AGWWINIASDMLTO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6(2)7(8)9-3/h4-5,7H,1,8H2,2-3H3/b6-5-.
What are the key properties of (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine?
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 167020251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).