2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine

C11H21NO — CID 166855627

IUPAC2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine
SMILESC=C(CC(N)C(=C)C(C)(C)C)OC
InChIInChI=1S/C11H21NO/c1-8(13-6)7-10(12)9(2)11(3,4)5/h10H,1-2,7,12H2,3-6H3
InChIKeyMHMBJMJHYZVXMN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.47
Rot. Bonds4

About 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine

2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine (PubChem CID 166855627) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine.

Molecular Properties

Compound Name2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine
PubChem CID166855627
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine
SMILESC=C(CC(N)C(=C)C(C)(C)C)OC
InChIInChI=1S/C11H21NO/c1-8(13-6)7-10(12)9(2)11(3,4)5/h10H,1-2,7,12H2,3-6H3
InChIKeyMHMBJMJHYZVXMN-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine?
The IUPAC name of 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine (CID 166855627) is 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine.
What is the SMILES notation for 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine?
The canonical SMILES for 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine is C=C(CC(N)C(=C)C(C)(C)C)OC.
What is the InChIKey of 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine?
The InChIKey is MHMBJMJHYZVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(13-6)7-10(12)9(2)11(3,4)5/h10H,1-2,7,12H2,3-6H3.
What are the key properties of 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine?
2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine has a molecular weight of 183.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,6-dimethyl-5-methylidenehept-1-en-4-amine is sourced from PubChem (CID 166855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).