2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine

C19H29N — CID 63523105

IUPAC2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)C2CC3CCC2C3)c(C)c1C
InChIInChI=1S/C19H29N/c1-10-11(2)13(4)18(14(5)12(10)3)19(20)17-9-15-6-7-16(17)8-15/h15-17,19H,6-9,20H2,1-5H3
InChIKeyGAYVJKXQKQOKHD-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.66
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine

2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 63523105) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID63523105
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)C2CC3CCC2C3)c(C)c1C
InChIInChI=1S/C19H29N/c1-10-11(2)13(4)18(14(5)12(10)3)19(20)17-9-15-6-7-16(17)8-15/h15-17,19H,6-9,20H2,1-5H3
InChIKeyGAYVJKXQKQOKHD-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 114246839
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735
2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114660323
2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine
CID 130494531
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentyl]hydrazine
CID 105266865

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine (CID 63523105) is 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine is Cc1c(C)c(C)c(C(N)C2CC3CCC2C3)c(C)c1C.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is GAYVJKXQKQOKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-10-11(2)13(4)18(14(5)12(10)3)19(20)17-9-15-6-7-16(17)8-15/h15-17,19H,6-9,20H2,1-5H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine?
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 271.45 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 63523105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).