N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine

C10H21NO — CID 79341184

IUPACN-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine
SMILESCOCCNCC=CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)6-5-7-11-8-9-12-4/h5-6,11H,7-9H2,1-4H3
InChIKeyYTXVISQXOYOLDD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds5

About N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine

N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine (PubChem CID 79341184) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine
PubChem CID79341184
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine
SMILESCOCCNCC=CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)6-5-7-11-8-9-12-4/h5-6,11H,7-9H2,1-4H3
InChIKeyYTXVISQXOYOLDD-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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 N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine (CID 79341184) is N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine is COCCNCC=CC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine?
The InChIKey is YTXVISQXOYOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)6-5-7-11-8-9-12-4/h5-6,11H,7-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine?
N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine is sourced from PubChem (CID 79341184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).