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

C16H26Cl2N2 — CID 118989555

IUPAC(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCc1ccccn1)C2.Cl.Cl
InChIInChI=1S/C16H24N2.2ClH/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;2*1H/t12-,14-,16+;;/m1../s1
InChIKeySUSSVOWMIIIKOC-GFZASXJASA-N
MW317.30 g/mol
LogP4.23
Rot. Bonds3

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

(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride (PubChem CID 118989555) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride.

Molecular Properties

Compound Name(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
PubChem CID118989555
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC Name(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCc1ccccn1)C2.Cl.Cl
InChIInChI=1S/C16H24N2.2ClH/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;2*1H/t12-,14-,16+;;/m1../s1
InChIKeySUSSVOWMIIIKOC-GFZASXJASA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride with MolForge

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Related Compounds

(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 46831020
molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine
CID 144789671
(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
CID 159041720
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
N-[(5-ethylthiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55221859
(1S,2R,4R)-1,7,7-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 99846801

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride?
The IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride (CID 118989555) is (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride.
What is the SMILES notation for (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride?
The canonical SMILES for (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCc1ccccn1)C2.Cl.Cl.
What is the InChIKey of (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride?
The InChIKey is SUSSVOWMIIIKOC-GFZASXJASA-N. The full InChI is InChI=1S/C16H24N2.2ClH/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;2*1H/t12-,14-,16+;;/m1../s1.
What are the key properties of (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride?
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride has a molecular weight of 317.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride is sourced from PubChem (CID 118989555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).