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

C10H19N — CID 6603701

IUPAC(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCC(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C10H19N/c1-6(2)9-7-3-4-8(5-7)10(9)11/h6-10H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeySHXVJSFOJHMEEQ-SGIHWFKDSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds1

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

(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 6603701) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID6603701
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCC(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C10H19N/c1-6(2)9-7-3-4-8(5-7)10(9)11/h6-10H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeySHXVJSFOJHMEEQ-SGIHWFKDSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.02
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?
The IUPAC name of (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine (CID 6603701) is (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine is CC(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1N.
What is the InChIKey of (1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is SHXVJSFOJHMEEQ-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H19N/c1-6(2)9-7-3-4-8(5-7)10(9)11/h6-10H,3-5,11H2,1-2H3/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?
(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 6603701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).