5-methoxy-N,2-dimethylhept-2-en-4-amine

C10H21NO — CID 116715522

IUPAC5-methoxy-N,2-dimethylhept-2-en-4-amine
SMILESCCC(OC)C(C=C(C)C)NC
InChIInChI=1S/C10H21NO/c1-6-10(12-5)9(11-4)7-8(2)3/h7,9-11H,6H2,1-5H3
InChIKeyXYDKNFHQMKADLH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds5

About 5-methoxy-N,2-dimethylhept-2-en-4-amine

5-methoxy-N,2-dimethylhept-2-en-4-amine (PubChem CID 116715522) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-methoxy-N,2-dimethylhept-2-en-4-amine.

Molecular Properties

Compound Name5-methoxy-N,2-dimethylhept-2-en-4-amine
PubChem CID116715522
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-methoxy-N,2-dimethylhept-2-en-4-amine
SMILESCCC(OC)C(C=C(C)C)NC
InChIInChI=1S/C10H21NO/c1-6-10(12-5)9(11-4)7-8(2)3/h7,9-11H,6H2,1-5H3
InChIKeyXYDKNFHQMKADLH-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,2-dimethylhept-2-en-4-amine?
The IUPAC name of 5-methoxy-N,2-dimethylhept-2-en-4-amine (CID 116715522) is 5-methoxy-N,2-dimethylhept-2-en-4-amine.
What is the SMILES notation for 5-methoxy-N,2-dimethylhept-2-en-4-amine?
The canonical SMILES for 5-methoxy-N,2-dimethylhept-2-en-4-amine is CCC(OC)C(C=C(C)C)NC.
What is the InChIKey of 5-methoxy-N,2-dimethylhept-2-en-4-amine?
The InChIKey is XYDKNFHQMKADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(12-5)9(11-4)7-8(2)3/h7,9-11H,6H2,1-5H3.
What are the key properties of 5-methoxy-N,2-dimethylhept-2-en-4-amine?
5-methoxy-N,2-dimethylhept-2-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,2-dimethylhept-2-en-4-amine is sourced from PubChem (CID 116715522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).