(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine

C12H19N — CID 130917733

IUPAC(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine
SMILESC1=C[C@H]2C[C@@H]1CC2NC1CCCC1
InChIInChI=1S/C12H19N/c1-2-4-11(3-1)13-12-8-9-5-6-10(12)7-9/h5-6,9-13H,1-4,7-8H2/t9-,10+,12?/m1/s1
InChIKeySRYOMHOWOKCFMP-WFCWDVHWSA-N
MW177.29 g/mol
LogP2.48
Rot. Bonds2

About (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine

(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 130917733) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine
PubChem CID130917733
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine
SMILESC1=C[C@H]2C[C@@H]1CC2NC1CCCC1
InChIInChI=1S/C12H19N/c1-2-4-11(3-1)13-12-8-9-5-6-10(12)7-9/h5-6,9-13H,1-4,7-8H2/t9-,10+,12?/m1/s1
InChIKeySRYOMHOWOKCFMP-WFCWDVHWSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-cyclododecylthiourea
CID 7189055
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(2-bicyclo[2.2.1]hept-5-enylcarbamothioylamino)thiourea
CID 2803212
1-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]carbamothioylamino]thiourea
CID 99719772
(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine
CID 130643782
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
N-(2-bicyclo[2.2.1]hept-5-enyl)piperidine-1-carbothioamide
CID 4233369
N-[(1S,4S)-2-bicyclo[2.2.2]oct-5-enyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 166275170
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87415341
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3-(propan-2-ylcarbamothioylamino)thiourea
CID 98083223

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine (CID 130917733) is (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine is C1=C[C@H]2C[C@@H]1CC2NC1CCCC1.
What is the InChIKey of (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is SRYOMHOWOKCFMP-WFCWDVHWSA-N. The full InChI is InChI=1S/C12H19N/c1-2-4-11(3-1)13-12-8-9-5-6-10(12)7-9/h5-6,9-13H,1-4,7-8H2/t9-,10+,12?/m1/s1.
What are the key properties of (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine?
(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 130917733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).