(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

C9H18ClN — CID 164833462

IUPAC(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC1(C)[C@H]2CC[C@H](C2)[C@H]1N.Cl
InChIInChI=1S/C9H17N.ClH/c1-9(2)7-4-3-6(5-7)8(9)10;/h6-8H,3-5,10H2,1-2H3;1H/t6-,7+,8-;/m1./s1
InChIKeyYHRWFCMLWGGYRA-ARIDFIBWSA-N
MW175.70 g/mol
LogP2.19
Rot. Bonds

About (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 164833462) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID164833462
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC1(C)[C@H]2CC[C@H](C2)[C@H]1N.Cl
InChIInChI=1S/C9H17N.ClH/c1-9(2)7-4-3-6(5-7)8(9)10;/h6-8H,3-5,10H2,1-2H3;1H/t6-,7+,8-;/m1./s1
InChIKeyYHRWFCMLWGGYRA-ARIDFIBWSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 164833462) is (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CC1(C)[C@H]2CC[C@H](C2)[C@H]1N.Cl.
What is the InChIKey of (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is YHRWFCMLWGGYRA-ARIDFIBWSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-9(2)7-4-3-6(5-7)8(9)10;/h6-8H,3-5,10H2,1-2H3;1H/t6-,7+,8-;/m1./s1.
What are the key properties of (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 164833462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).