2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C19H37NO — CID 63520960

IUPAC2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)CCOCCC1(CNC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C19H37NO/c1-15(2)8-10-21-11-9-19(14-20-18(3,4)5)13-16-6-7-17(19)12-16/h15-17,20H,6-14H2,1-5H3
InChIKeyMESFTJDLAYNVIQ-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.63
Rot. Bonds8

About 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63520960) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63520960
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)CCOCCC1(CNC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C19H37NO/c1-15(2)8-10-21-11-9-19(14-20-18(3,4)5)13-16-6-7-17(19)12-16/h15-17,20H,6-14H2,1-5H3
InChIKeyMESFTJDLAYNVIQ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63520960) is 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)CCOCCC1(CNC(C)(C)C)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is MESFTJDLAYNVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15(2)8-10-21-11-9-19(14-20-18(3,4)5)13-16-6-7-17(19)12-16/h15-17,20H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 295.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63520960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).