(2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C14H26N2 — CID 139247792

IUPAC(2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(CN2CCCC2)C2CCC1(C)[C@@H](N)C2
InChIInChI=1S/C14H26N2/c1-13-6-5-11(9-12(13)15)14(13,2)10-16-7-3-4-8-16/h11-12H,3-10,15H2,1-2H3/t11?,12-,13?,14?/m0/s1
InChIKeyDALBOLISFOMBBJ-UDXKHGJESA-N
MW222.38 g/mol
LogP2.24
Rot. Bonds2

About (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine

(2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 139247792) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID139247792
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(CN2CCCC2)C2CCC1(C)[C@@H](N)C2
InChIInChI=1S/C14H26N2/c1-13-6-5-11(9-12(13)15)14(13,2)10-16-7-3-4-8-16/h11-12H,3-10,15H2,1-2H3/t11?,12-,13?,14?/m0/s1
InChIKeyDALBOLISFOMBBJ-UDXKHGJESA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1,7,7-Tetramethylbicyclo[2.2.1]heptan-2-amine
CID 31142
2-Bornanamine, N,N-dimethyl-, hydrochloride, endo-(+-)-
CID 31086
(+-)-endo-N-Methyl-2-bornanamine hydrochloride
CID 31141
Acetonitrile, (2-bornylamino)-, hydrochloride, endo-(+-)-
CID 32527
1-(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine
CID 2728080
Cambridge id 5413387
CID 2845276
N-octadecyl-N'-[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine
CID 16076549
N,4,7,7-Tetramethylbicyclo[2.2.1]heptan-2-amine
CID 567036
1,3,3-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 20038644
(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 21675064
1-(Aminomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-amine
CID 58922193
Butylbornylamin
CID 12749939

Frequently Asked Questions

What is the IUPAC name of (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 139247792) is (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(CN2CCCC2)C2CCC1(C)[C@@H](N)C2.
What is the InChIKey of (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DALBOLISFOMBBJ-UDXKHGJESA-N. The full InChI is InChI=1S/C14H26N2/c1-13-6-5-11(9-12(13)15)14(13,2)10-16-7-3-4-8-16/h11-12H,3-10,15H2,1-2H3/t11?,12-,13?,14?/m0/s1.
What are the key properties of (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
(2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,7-dimethyl-7-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 139247792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).