1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C16H24N2 — CID 43222723

IUPAC1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1ccncc1)C2
InChIInChI=1S/C16H24N2/c1-15(2)13-4-7-16(15,3)14(10-13)18-11-12-5-8-17-9-6-12/h5-6,8-9,13-14,18H,4,7,10-11H2,1-3H3
InChIKeyBHIOTYZUSPJSGX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.39
Rot. Bonds3

About 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 43222723) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID43222723
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1ccncc1)C2
InChIInChI=1S/C16H24N2/c1-15(2)13-4-7-16(15,3)14(10-13)18-11-12-5-8-17-9-6-12/h5-6,8-9,13-14,18H,4,7,10-11H2,1-3H3
InChIKeyBHIOTYZUSPJSGX-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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Related Compounds

N-Desmethylpheniramine
CID 161283
Deschloroepibatidine
CID 10154265
2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 15265902
2-(2-Fluoro-5-pyridyl)-7-azanorbornane
CID 22468072
2-(6-Methyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44299185
(2R)-2-(6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 44313156
Pyridine, 4-[1(4-,5 or 6)-methylbicyclo[2.2.1]hept-5-en-2-yl]-
CID 90843616
2-(5-Vinyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44388248
(1R,2R,4R)-2-(5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 122186925
(1R,2R,4R)-2-(5-pyridin-3-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 122186930
(1-Phenyl-ethyl)-pyridin-3-ylmethyl-amine
CID 2760379
N-[phenyl(4-pyridinyl)methyl]-1-butanamine
CID 2834981

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 43222723) is 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCc1ccncc1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BHIOTYZUSPJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2)13-4-7-16(15,3)14(10-13)18-11-12-5-8-17-9-6-12/h5-6,8-9,13-14,18H,4,7,10-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(pyridin-4-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-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43222723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).