(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine

C12H23N — CID 98119396

IUPAC(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CCN[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C12H23N/c1-9(2)5-6-13-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeySOLFNSRZTNLKGY-UTUOFQBUSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds4

About (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine

(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 98119396) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID98119396
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CCN[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C12H23N/c1-9(2)5-6-13-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeySOLFNSRZTNLKGY-UTUOFQBUSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine
CID 130621528
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
1-(2-bicyclo[2.2.1]heptanylamino)-3-methylbutan-2-ol
CID 115886357
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine (CID 98119396) is (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine is CC(C)CCN[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SOLFNSRZTNLKGY-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)5-6-13-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98119396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).