(1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C26H35NO — CID 100926382

IUPAC(1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H35NO/c1-25(2)23-14-16-26(25,3)24(28)22(23)15-17-27(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-13,22-24,28H,14-19H2,1-3H3/t22-,23-,24-,26+/m1/s1
InChIKeyYJBJPBURGVRYRE-GWZVJQKXSA-N
MW377.57 g/mol
LogP5.51
Rot. Bonds7

About (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 100926382) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID100926382
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name(1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H35NO/c1-25(2)23-14-16-26(25,3)24(28)22(23)15-17-27(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-13,22-24,28H,14-19H2,1-3H3/t22-,23-,24-,26+/m1/s1
InChIKeyYJBJPBURGVRYRE-GWZVJQKXSA-N
XLogP5.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

2-Norbornanol, 3-(benzylmethylaminomethyl)-
CID 98187
1-Benzyl-1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]pyrrolidin-1-ium
CID 23847522
Kdm4-IN-4
CID 132472249
(1R,3aR,4R,5S,7aR)-5-(dibenzylamino)-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583303
Bornan-2-exo-ol, 10-(4-phenyl-1-piperidino)-
CID 42681
(2S,3R)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
CID 145965089
(2R,3S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
CID 145975124
3-[(Dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
CID 145975979
1-[Benzyl(2-hydroxyethyl)amino]-3-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-YL}oxy)propan-2-OL hydrochloride
CID 18593458
3-(2-bornanyloxy)-1-[N-benzyl(2-hydroxyethyl)amino]-2-propanol
CID 18593459
3-[2-(Dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 134972024
N-benzyl-N,N-dimethyl-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanaminium
CID 3346974

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 100926382) is (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is YJBJPBURGVRYRE-GWZVJQKXSA-N. The full InChI is InChI=1S/C26H35NO/c1-25(2)23-14-16-26(25,3)24(28)22(23)15-17-27(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-13,22-24,28H,14-19H2,1-3H3/t22-,23-,24-,26+/m1/s1.
What are the key properties of (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 377.57 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-3-[2-(dibenzylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 100926382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).