2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine

C13H27NO — CID 102641104

IUPAC2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(4,11-14-12(2)3)9-7-8-10-15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeySTPPDBWQQGOWKK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds9

About 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine

2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 102641104) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine
PubChem CID102641104
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(4,11-14-12(2)3)9-7-8-10-15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeySTPPDBWQQGOWKK-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine
CID 134386348
N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine
CID 167027452
6-pent-4-enoxy-N-propan-2-ylhexan-1-amine
CID 79112541
2-Ethenyl-6-methoxy-2-methylhexan-1-amine
CID 102640436
2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
CID 102640614
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 102640744
N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640746
2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 102640778
2-ethenyl-5-ethoxy-2-methyl-N-propylpentan-1-amine
CID 102640856
2-ethenyl-5-methoxy-2-methyl-N-propylpentan-1-amine
CID 102640908
2-methyl-2-(oxan-4-ylmethyl)-N-propylbut-3-en-1-amine
CID 102640911

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine (CID 102641104) is 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine is C=CC(C)(CCCCOC)CNC(C)C.
What is the InChIKey of 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is STPPDBWQQGOWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(4,11-14-12(2)3)9-7-8-10-15-5/h6,12,14H,1,7-11H2,2-5H3.
What are the key properties of 2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine?
2-ethenyl-6-methoxy-2-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 9 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-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 102641104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).