N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine

C11H21NO — CID 166855666

IUPACN-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine
SMILESC=C(CC)C(=C)CCNCCOC
InChIInChI=1S/C11H21NO/c1-5-10(2)11(3)6-7-12-8-9-13-4/h12H,2-3,5-9H2,1,4H3
InChIKeyUUHYJYSKXWIVPJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds8

About N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine

N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine (PubChem CID 166855666) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine
PubChem CID166855666
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine
SMILESC=C(CC)C(=C)CCNCCOC
InChIInChI=1S/C11H21NO/c1-5-10(2)11(3)6-7-12-8-9-13-4/h12H,2-3,5-9H2,1,4H3
InChIKeyUUHYJYSKXWIVPJ-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine (CID 166855666) is N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine is C=C(CC)C(=C)CCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine?
The InChIKey is UUHYJYSKXWIVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10(2)11(3)6-7-12-8-9-13-4/h12H,2-3,5-9H2,1,4H3.
What are the key properties of N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine?
N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,4-dimethylidenehexan-1-amine is sourced from PubChem (CID 166855666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).