1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C18H34N2O — CID 64533716

IUPAC1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)N1CCOC(CNC2C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C18H34N2O/c1-13(2)20-8-9-21-15(12-20)11-19-16-17(3,4)14-6-7-18(16,5)10-14/h13-16,19H,6-12H2,1-5H3
InChIKeyHJGVTTHSMNPVFM-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.90
Rot. Bonds4

About 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 64533716) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID64533716
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)N1CCOC(CNC2C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C18H34N2O/c1-13(2)20-8-9-21-15(12-20)11-19-16-17(3,4)14-6-7-18(16,5)10-14/h13-16,19H,6-12H2,1-5H3
InChIKeyHJGVTTHSMNPVFM-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 64533716) is 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is CC(C)N1CCOC(CNC2C3(C)CCC(C3)C2(C)C)C1.
What is the InChIKey of 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HJGVTTHSMNPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)20-8-9-21-15(12-20)11-19-16-17(3,4)14-6-7-18(16,5)10-14/h13-16,19H,6-12H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 294.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 64533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).