2-ethenyl-6-methoxy-2-methylhexan-1-amine

C10H21NO — CID 102640436

IUPAC2-ethenyl-6-methoxy-2-methylhexan-1-amine
SMILESC=CC(C)(CN)CCCCOC
InChIInChI=1S/C10H21NO/c1-4-10(2,9-11)7-5-6-8-12-3/h4H,1,5-9,11H2,2-3H3
InChIKeyMFGDBJZCNDBXER-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds7

About 2-ethenyl-6-methoxy-2-methylhexan-1-amine

2-ethenyl-6-methoxy-2-methylhexan-1-amine (PubChem CID 102640436) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethenyl-6-methoxy-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethenyl-6-methoxy-2-methylhexan-1-amine
PubChem CID102640436
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethenyl-6-methoxy-2-methylhexan-1-amine
SMILESC=CC(C)(CN)CCCCOC
InChIInChI=1S/C10H21NO/c1-4-10(2,9-11)7-5-6-8-12-3/h4H,1,5-9,11H2,2-3H3
InChIKeyMFGDBJZCNDBXER-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
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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Related Compounds

2,2-Dimethyl-4-methylidene-6-propoxyhexan-1-amine
CID 166831255
6-Methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
CID 170682423
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-Ethenyl-5-methoxy-2-methylpentan-1-amine
CID 102640398
2-Methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640402
2-Ethenyl-4-methoxy-2-methylpentan-1-amine
CID 102640409
2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
CID 102640614
2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 102640778
2-ethenyl-6-methoxy-2-methyl-N-propylhexan-1-amine
CID 102640943
2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine
CID 102641104
N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine
CID 102641435
2-ethenyl-6-methoxy-2-methyl-N-(2-methylpropyl)hexan-1-amine
CID 102641601

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methoxy-2-methylhexan-1-amine?
The IUPAC name of 2-ethenyl-6-methoxy-2-methylhexan-1-amine (CID 102640436) is 2-ethenyl-6-methoxy-2-methylhexan-1-amine.
What is the SMILES notation for 2-ethenyl-6-methoxy-2-methylhexan-1-amine?
The canonical SMILES for 2-ethenyl-6-methoxy-2-methylhexan-1-amine is C=CC(C)(CN)CCCCOC.
What is the InChIKey of 2-ethenyl-6-methoxy-2-methylhexan-1-amine?
The InChIKey is MFGDBJZCNDBXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(2,9-11)7-5-6-8-12-3/h4H,1,5-9,11H2,2-3H3.
What are the key properties of 2-ethenyl-6-methoxy-2-methylhexan-1-amine?
2-ethenyl-6-methoxy-2-methylhexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methoxy-2-methylhexan-1-amine is sourced from PubChem (CID 102640436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).