(1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine

C11H21N — CID 118676129

IUPAC(1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CN[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H21N/c1-8(2)7-12-11-6-9-3-4-10(11)5-9/h8-12H,3-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyLMJGZLIKIQFXDA-HBNTYKKESA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds3

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

(1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 118676129) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID118676129
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CN[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H21N/c1-8(2)7-12-11-6-9-3-4-10(11)5-9/h8-12H,3-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyLMJGZLIKIQFXDA-HBNTYKKESA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 118676129) is (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine is CC(C)CN[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LMJGZLIKIQFXDA-HBNTYKKESA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)7-12-11-6-9-3-4-10(11)5-9/h8-12H,3-7H2,1-2H3/t9-,10+,11+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(2-methylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 118676129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).