2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine

C11H21N — CID 154963024

IUPAC2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine
SMILESCNC(C)(C)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H21N/c1-11(2,12-3)10-7-8-4-5-9(10)6-8/h8-10,12H,4-7H2,1-3H3/t8-,9+,10?/m1/s1
InChIKeyUVIAFCVDSQTSEE-ZDGBYWQASA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds2

About 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine

2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine (PubChem CID 154963024) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine
PubChem CID154963024
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine
SMILESCNC(C)(C)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H21N/c1-11(2,12-3)10-7-8-4-5-9(10)6-8/h8-10,12H,4-7H2,1-3H3/t8-,9+,10?/m1/s1
InChIKeyUVIAFCVDSQTSEE-ZDGBYWQASA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
CID 68641749
2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 118360310
2-tert-butylbicyclo[3.2.1]octane
CID 21352041
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
CID 126747382
(2R)-2-tert-butylbicyclo[2.2.2]octane
CID 153289737
2-bicyclo[2.2.1]heptanyl(difluoro)methanethiol
CID 88533789
2-(2-bicyclo[2.2.1]heptanyl)-2-methoxypropan-1-amine
CID 130609836
1-(2-bicyclo[2.2.1]heptanyl)-1-fluoroethanesulfonic acid
CID 123733478
2-cyclopropyl-N-methylpropan-2-amine
CID 82593557
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine?
The IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine (CID 154963024) is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine is CNC(C)(C)C1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine?
The InChIKey is UVIAFCVDSQTSEE-ZDGBYWQASA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,12-3)10-7-8-4-5-9(10)6-8/h8-10,12H,4-7H2,1-3H3/t8-,9+,10?/m1/s1.
What are the key properties of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine?
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine is sourced from PubChem (CID 154963024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).