(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol

C12H21NO — CID 103924340

IUPAC(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-2-12(8-14)13-7-11-6-9-3-4-10(11)5-9/h3-4,9-14H,2,5-8H2,1H3/t9?,10?,11?,12-/m1/s1
InChIKeySZDAHRJCCNERQR-XHUCQOSOSA-N
MW195.31 g/mol
LogP1.56
Rot. Bonds5

About (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol

(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol (PubChem CID 103924340) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol
PubChem CID103924340
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-2-12(8-14)13-7-11-6-9-3-4-10(11)5-9/h3-4,9-14H,2,5-8H2,1H3/t9?,10?,11?,12-/m1/s1
InChIKeySZDAHRJCCNERQR-XHUCQOSOSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

(3R)-3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-4-methylsulfanylbutan-1-ol
CID 98220520
(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
CID 103766373
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
CID 66176724
(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine
CID 98118059
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
CID 43771189
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylsulfanylbutan-2-amine
CID 115685695
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine
CID 98119287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol (CID 103924340) is (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol is CC[C@H](CO)NCC1CC2C=CC1C2.
What is the InChIKey of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol?
The InChIKey is SZDAHRJCCNERQR-XHUCQOSOSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-12(8-14)13-7-11-6-9-3-4-10(11)5-9/h3-4,9-14H,2,5-8H2,1H3/t9?,10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol?
(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol is sourced from PubChem (CID 103924340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).