N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline

C18H27N — CID 79551827

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
SMILESCC(C)(C)c1ccccc1NCC1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-18(2,3)16-6-4-5-7-17(16)19-12-15-11-13-8-9-14(15)10-13/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeySQBBTMUGIZXVGI-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.83
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline (PubChem CID 79551827) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
PubChem CID79551827
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
SMILESCC(C)(C)c1ccccc1NCC1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-18(2,3)16-6-4-5-7-17(16)19-12-15-11-13-8-9-14(15)10-13/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeySQBBTMUGIZXVGI-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
CID 114252026
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-2-methylaniline
CID 79555117
methyl 2-amino-3-(2-bicyclo[2.2.1]heptanylmethylamino)benzoate
CID 115546150
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
CID 79558859
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 79554761
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butylaniline
CID 66419104
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline (CID 79551827) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline is CC(C)(C)c1ccccc1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline?
The InChIKey is SQBBTMUGIZXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2,3)16-6-4-5-7-17(16)19-12-15-11-13-8-9-14(15)10-13/h4-7,13-15,19H,8-12H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline has a molecular weight of 257.42 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline is sourced from PubChem (CID 79551827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).