[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C12H21NO — CID 15173138

IUPAC[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC(C)CN[C@]1(CO)C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21NO/c1-9(2)7-13-12(8-14)6-10-3-4-11(12)5-10/h3-4,9-11,13-14H,5-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyGFUAUDOGABHGST-WOPDTQHZSA-N
MW195.31 g/mol
LogP1.56
Rot. Bonds4

About [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 15173138) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID15173138
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC(C)CN[C@]1(CO)C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21NO/c1-9(2)7-13-12(8-14)6-10-3-4-11(12)5-10/h3-4,9-11,13-14H,5-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyGFUAUDOGABHGST-WOPDTQHZSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hexadecylamino-2-hydroxymethylnorbornene
CID 131822
2-[(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-amino]-ethanol
CID 3154449
(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
CID 102084980
[(1R,2R,3S,4S)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 12076012
[(1S,2R,3S,4R)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 13510370
[3-(Hexadecylamino)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 14828004
1-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-2-ol
CID 20649851
1-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
CID 20649856
2-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
CID 20649891
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
CID 20649894
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
(2-Amino-2-bicyclo[2.2.1]hept-5-enyl)methanol
CID 84648433

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 15173138) is [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol is CC(C)CN[C@]1(CO)C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is GFUAUDOGABHGST-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)7-13-12(8-14)6-10-3-4-11(12)5-10/h3-4,9-11,13-14H,5-8H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 195.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 15173138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).