1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C16H24N2 — CID 43222733

IUPAC1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1cccnc1)C2
InChIInChI=1S/C16H24N2/c1-15(2)13-6-7-16(15,3)14(9-13)18-11-12-5-4-8-17-10-12/h4-5,8,10,13-14,18H,6-7,9,11H2,1-3H3
InChIKeyKCFSDAHSTKGUHY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.39
Rot. Bonds3

About 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 43222733) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID43222733
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1cccnc1)C2
InChIInChI=1S/C16H24N2/c1-15(2)13-6-7-16(15,3)14(9-13)18-11-12-5-4-8-17-10-12/h4-5,8,10,13-14,18H,6-7,9,11H2,1-3H3
InChIKeyKCFSDAHSTKGUHY-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

1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43220941
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 43223186
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408508
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76683038
N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 43222733) is 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCc1cccnc1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KCFSDAHSTKGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2)13-6-7-16(15,3)14(9-13)18-11-12-5-4-8-17-10-12/h4-5,8,10,13-14,18H,6-7,9,11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(pyridin-3-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-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43222733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).