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

C10H20ClN — CID 52941682

IUPAC(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1N.Cl
InChIInChI=1S/C10H19N.ClH/c1-6(2)9-7-3-4-8(5-7)10(9)11;/h6-10H,3-5,11H2,1-2H3;1H/t7-,8+,9+,10+;/m0./s1
InChIKeyKSTGYMXUFHCTSM-XMJXCIAKSA-N
MW189.73 g/mol
LogP2.44
Rot. Bonds1

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

(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 52941682) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID52941682
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1N.Cl
InChIInChI=1S/C10H19N.ClH/c1-6(2)9-7-3-4-8(5-7)10(9)11;/h6-10H,3-5,11H2,1-2H3;1H/t7-,8+,9+,10+;/m0./s1
InChIKeyKSTGYMXUFHCTSM-XMJXCIAKSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 52941682) is (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CC(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1N.Cl.
What is the InChIKey of (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is KSTGYMXUFHCTSM-XMJXCIAKSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-6(2)9-7-3-4-8(5-7)10(9)11;/h6-10H,3-5,11H2,1-2H3;1H/t7-,8+,9+,10+;/m0./s1.
What are the key properties of (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 52941682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).