(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine

C29H33N — CID 101028806

IUPAC(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C29H33N/c1-27(2)25-19-20-28(27,3)26(21-25)30-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-26,30H,19-21H2,1-3H3/t25-,26-,28+/m1/s1
InChIKeyBMZCBIUTHDBOCT-GTNKKZTPSA-N
MW395.59 g/mol
LogP6.78
Rot. Bonds5

About (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine

(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine (PubChem CID 101028806) has the molecular formula C29H33N and a molecular weight of 395.59 g/mol. Its IUPAC name is (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
PubChem CID101028806
Molecular FormulaC29H33N
Molecular Weight395.59 g/mol
Exact Mass395.26
IUPAC Name(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C29H33N/c1-27(2)25-19-20-28(27,3)26(21-25)30-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-26,30H,19-21H2,1-3H3/t25-,26-,28+/m1/s1
InChIKeyBMZCBIUTHDBOCT-GTNKKZTPSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
(1S)-1-phenyl-N'-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 66573628
1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 43223472
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
CID 116812924
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 46831020
(1S,2R,4S)-2-diphenylphosphoryl-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46184298

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine (CID 101028806) is (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is BMZCBIUTHDBOCT-GTNKKZTPSA-N. The full InChI is InChI=1S/C29H33N/c1-27(2)25-19-20-28(27,3)26(21-25)30-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-26,30H,19-21H2,1-3H3/t25-,26-,28+/m1/s1.
What are the key properties of (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine?
(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 395.59 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 101028806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).