trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine

C12H21N — CID 178199728

IUPACtrans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1C1CC2CCC1C2
InChIInChI=1S/C12H21N/c1-12(2)10(11(12)13)9-6-7-3-4-8(9)5-7/h7-11H,3-6,13H2,1-2H3/t7?,8?,9?,10-,11-/m1/s1
InChIKeyRIVAOIOCOIUKFG-IECOREMASA-N
MW179.31 g/mol
LogP2.41
Rot. Bonds1

About trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine

trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178199728) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178199728
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nametrans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1C1CC2CCC1C2
InChIInChI=1S/C12H21N/c1-12(2)10(11(12)13)9-6-7-3-4-8(9)5-7/h7-11H,3-6,13H2,1-2H3/t7?,8?,9?,10-,11-/m1/s1
InChIKeyRIVAOIOCOIUKFG-IECOREMASA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
CID 167045827
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
tricyclo[5.3.2.03,9]dodecan-4-amine
CID 89298731
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 18390289
(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane
CID 123583493

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine (CID 178199728) is trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)[C@H](N)[C@H]1C1CC2CCC1C2.
What is the InChIKey of trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is RIVAOIOCOIUKFG-IECOREMASA-N. The full InChI is InChI=1S/C12H21N/c1-12(2)10(11(12)13)9-6-7-3-4-8(9)5-7/h7-11H,3-6,13H2,1-2H3/t7?,8?,9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine?
trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178199728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).