(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine

C7H13NO2 — CID 143650435

IUPAC(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(\C)OOC
InChIInChI=1S/C7H13NO2/c1-5(2)7(8)6(3)10-9-4/h1,8H2,2-4H3/b7-6-
InChIKeySJFAFSRLAOFWRY-SREVYHEPSA-N
MW143.19 g/mol
LogP1.33
Rot. Bonds3

About (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine

(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine (PubChem CID 143650435) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine
PubChem CID143650435
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(\C)OOC
InChIInChI=1S/C7H13NO2/c1-5(2)7(8)6(3)10-9-4/h1,8H2,2-4H3/b7-6-
InChIKeySJFAFSRLAOFWRY-SREVYHEPSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
CID 134468970
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844
CID 174035395
CID 174035395

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine?
The IUPAC name of (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine (CID 143650435) is (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine is C=C(C)/C(N)=C(\C)OOC.
What is the InChIKey of (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine?
The InChIKey is SJFAFSRLAOFWRY-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)7(8)6(3)10-9-4/h1,8H2,2-4H3/b7-6-.
What are the key properties of (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine?
(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine has a molecular weight of 143.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine is sourced from PubChem (CID 143650435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).