N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

C18H35NO — CID 103036761

IUPACN-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCC1(CNC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C18H35NO/c1-16(2,3)19-13-18(10-9-17(4,5)20-6)12-14-7-8-15(18)11-14/h14-15,19H,7-13H2,1-6H3
InChIKeyRIYRBYIECBZBMO-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds6

About N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (PubChem CID 103036761) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
PubChem CID103036761
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCC1(CNC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C18H35NO/c1-16(2,3)19-13-18(10-9-17(4,5)20-6)12-14-7-8-15(18)11-14/h14-15,19H,7-13H2,1-6H3
InChIKeyRIYRBYIECBZBMO-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (CID 103036761) is N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is COC(C)(C)CCC1(CNC(C)(C)C)CC2CCC1C2.
What is the InChIKey of N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RIYRBYIECBZBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-16(2,3)19-13-18(10-9-17(4,5)20-6)12-14-7-8-15(18)11-14/h14-15,19H,7-13H2,1-6H3.
What are the key properties of N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103036761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).