(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine

C12H23N — CID 129408851

IUPAC(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESC[C@@H](N)[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H23N/c1-8(13)10-7-9-5-6-12(10,4)11(9,2)3/h8-10H,5-7,13H2,1-4H3/t8-,9+,10+,12-/m1/s1
InChIKeySYHVXOTXZPIFPO-FYLLDIAZSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds1

About (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine

(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine (PubChem CID 129408851) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
PubChem CID129408851
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESC[C@@H](N)[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H23N/c1-8(13)10-7-9-5-6-12(10,4)11(9,2)3/h8-10H,5-7,13H2,1-4H3/t8-,9+,10+,12-/m1/s1
InChIKeySYHVXOTXZPIFPO-FYLLDIAZSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine with MolForge

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Related Compounds

(1R)-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 127035578
(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 124853781
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
2-(diethoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 146004628
1,7,7-trimethyl-2-[1-[1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-ynoxy]prop-2-ynyl]bicyclo[2.2.1]heptane
CID 88658712
2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
CID 22159025
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
CID 174614678
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
CID 23135836
ethyl (2S)-3-amino-2-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 124853315

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine?
The IUPAC name of (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine (CID 129408851) is (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine?
The canonical SMILES for (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine is C[C@@H](N)[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine?
The InChIKey is SYHVXOTXZPIFPO-FYLLDIAZSA-N. The full InChI is InChI=1S/C12H23N/c1-8(13)10-7-9-5-6-12(10,4)11(9,2)3/h8-10H,5-7,13H2,1-4H3/t8-,9+,10+,12-/m1/s1.
What are the key properties of (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine?
(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine is sourced from PubChem (CID 129408851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).