1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine

C19H29N — CID 63419456

IUPAC1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)c1ccccc1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H29N/c1-13(2)15-8-6-7-9-16(15)20-17-12-14-10-11-19(17,5)18(14,3)4/h6-9,13-14,17,20H,10-12H2,1-5H3
InChIKeyARPPQJRIZKVGJS-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.44
Rot. Bonds3

About 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63419456) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63419456
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)c1ccccc1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H29N/c1-13(2)15-8-6-7-9-16(15)20-17-12-14-10-11-19(17,5)18(14,3)4/h6-9,13-14,17,20H,10-12H2,1-5H3
InChIKeyARPPQJRIZKVGJS-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
CID 101028806
N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63418869
N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
CID 116812924
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 63419456) is 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine is CC(C)c1ccccc1NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ARPPQJRIZKVGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-13(2)15-8-6-7-9-16(15)20-17-12-14-10-11-19(17,5)18(14,3)4/h6-9,13-14,17,20H,10-12H2,1-5H3.
What are the key properties of 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 271.45 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63419456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).