N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine

C15H27NO — CID 143070792

IUPACN-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)CC1=C(C(C)(C)C)CCC=C1
InChIInChI=1S/C15H27NO/c1-15(2,3)14-9-7-6-8-13(14)12-16(4)10-11-17-5/h6,8H,7,9-12H2,1-5H3
InChIKeyXARWWZOAOZWUQG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds5

About N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine

N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 143070792) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine
PubChem CID143070792
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)CC1=C(C(C)(C)C)CCC=C1
InChIInChI=1S/C15H27NO/c1-15(2,3)14-9-7-6-8-13(14)12-16(4)10-11-17-5/h6,8H,7,9-12H2,1-5H3
InChIKeyXARWWZOAOZWUQG-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine (CID 143070792) is N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)CC1=C(C(C)(C)C)CCC=C1.
What is the InChIKey of N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is XARWWZOAOZWUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,3)14-9-7-6-8-13(14)12-16(4)10-11-17-5/h6,8H,7,9-12H2,1-5H3.
What are the key properties of N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine?
N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 143070792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).