1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C16H24N2 — CID 43222714

IUPAC1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1ccccn1)C2
InChIInChI=1S/C16H24N2/c1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3
InChIKeyGWIRNARPJMQEML-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.39
Rot. Bonds3

About 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 43222714) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID43222714
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1ccccn1)C2
InChIInChI=1S/C16H24N2/c1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3
InChIKeyGWIRNARPJMQEML-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 43222714) is 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCc1ccccn1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is GWIRNARPJMQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43222714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).