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

C10H19N — CID 59868057

IUPAC(1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCC(C)N[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H19N/c1-7(2)11-10-6-8-3-4-9(10)5-8/h7-11H,3-6H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeyUJENFODQIWOGMA-KXUCPTDWSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds2

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

(1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 59868057) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID59868057
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCC(C)N[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H19N/c1-7(2)11-10-6-8-3-4-9(10)5-8/h7-11H,3-6H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeyUJENFODQIWOGMA-KXUCPTDWSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2845276
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine (CID 59868057) is (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine is CC(C)N[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is UJENFODQIWOGMA-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)11-10-6-8-3-4-9(10)5-8/h7-11H,3-6H2,1-2H3/t8-,9+,10-/m1/s1.
What are the key properties of (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
(1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 59868057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).