7-methoxy-2-methylhept-2-en-4-amine

C9H19NO — CID 79177286

IUPAC7-methoxy-2-methylhept-2-en-4-amine
SMILESCOCCCC(N)C=C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)7-9(10)5-4-6-11-3/h7,9H,4-6,10H2,1-3H3
InChIKeyNLHJLWGNRSYXRS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds5

About 7-methoxy-2-methylhept-2-en-4-amine

7-methoxy-2-methylhept-2-en-4-amine (PubChem CID 79177286) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 7-methoxy-2-methylhept-2-en-4-amine.

Molecular Properties

Compound Name7-methoxy-2-methylhept-2-en-4-amine
PubChem CID79177286
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name7-methoxy-2-methylhept-2-en-4-amine
SMILESCOCCCC(N)C=C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)7-9(10)5-4-6-11-3/h7,9H,4-6,10H2,1-3H3
InChIKeyNLHJLWGNRSYXRS-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylhept-2-en-4-amine?
The IUPAC name of 7-methoxy-2-methylhept-2-en-4-amine (CID 79177286) is 7-methoxy-2-methylhept-2-en-4-amine.
What is the SMILES notation for 7-methoxy-2-methylhept-2-en-4-amine?
The canonical SMILES for 7-methoxy-2-methylhept-2-en-4-amine is COCCCC(N)C=C(C)C.
What is the InChIKey of 7-methoxy-2-methylhept-2-en-4-amine?
The InChIKey is NLHJLWGNRSYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)7-9(10)5-4-6-11-3/h7,9H,4-6,10H2,1-3H3.
What are the key properties of 7-methoxy-2-methylhept-2-en-4-amine?
7-methoxy-2-methylhept-2-en-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylhept-2-en-4-amine is sourced from PubChem (CID 79177286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).