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

C12H21N — CID 130643782

IUPAC(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine
SMILESCC(C)(C)CNC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21N/c1-12(2,3)8-13-11-7-9-4-5-10(11)6-9/h4-5,9-11,13H,6-8H2,1-3H3/t9-,10+,11?/m1/s1
InChIKeyRTWKXUOADXNEBA-JKIOLJMWSA-N
MW179.31 g/mol
LogP2.59
Rot. Bonds2

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

(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 130643782) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine
PubChem CID130643782
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine
SMILESCC(C)(C)CNC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21N/c1-12(2,3)8-13-11-7-9-4-5-10(11)6-9/h4-5,9-11,13H,6-8H2,1-3H3/t9-,10+,11?/m1/s1
InChIKeyRTWKXUOADXNEBA-JKIOLJMWSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.59
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-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol
CID 130978007
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-(4-hydroxy-2-methylbutan-2-yl)thiourea
CID 11889411
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3-(2-methylbut-3-yn-2-yl)thiourea
CID 98080335
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
(1R,4R)-N-cyclopentylbicyclo[2.2.1]hept-5-en-2-amine
CID 130917733
N-(2,2-dimethylpropyl)-2-methylcyclobutan-1-amine
CID 130171534
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87415341
3-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,1-dipropylthiourea
CID 11859387

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine (CID 130643782) is (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine is CC(C)(C)CNC1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is RTWKXUOADXNEBA-JKIOLJMWSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2,3)8-13-11-7-9-4-5-10(11)6-9/h4-5,9-11,13H,6-8H2,1-3H3/t9-,10+,11?/m1/s1.
What are the key properties of (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine?
(1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 130643782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).