3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine

C15H20N2 — CID 114095351

IUPAC3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine
SMILESCc1cccc(NC2C3C4CCC(C4)C23)c1N
InChIInChI=1S/C15H20N2/c1-8-3-2-4-11(14(8)16)17-15-12-9-5-6-10(7-9)13(12)15/h2-4,9-10,12-13,15,17H,5-7,16H2,1H3
InChIKeyQJTIGRRXBZDCOW-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.03
Rot. Bonds2

About 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine

3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine (PubChem CID 114095351) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine
PubChem CID114095351
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine
SMILESCc1cccc(NC2C3C4CCC(C4)C23)c1N
InChIInChI=1S/C15H20N2/c1-8-3-2-4-11(14(8)16)17-15-12-9-5-6-10(7-9)13(12)15/h2-4,9-10,12-13,15,17H,5-7,16H2,1H3
InChIKeyQJTIGRRXBZDCOW-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride
CID 2967205
(1-Bicyclo[2.2.1]hept-2-ylethyl)[4-(dimethylamino)benzyl]amine hydrochloride
CID 2967206
(1R,2R,3R,4R,7Z)-7-(cyclopropylmethylidene)-3-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]bicyclo[2.2.1]heptan-2-amine
CID 171854468
(3R,7Z)-7-(cyclopropylmethylidene)-3-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]bicyclo[2.2.1]heptan-2-amine
CID 176816375
1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine
CID 91591802
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline
CID 135060288
(2R)-2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline
CID 146163289
[3-(Aminomethyl)bicyclo[2.2.1]hept-2-yl]aniline
CID 162624316
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 43115413
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 43115417
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115418
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 55229466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine (CID 114095351) is 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine is Cc1cccc(NC2C3C4CCC(C4)C23)c1N.
What is the InChIKey of 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine?
The InChIKey is QJTIGRRXBZDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-8-3-2-4-11(14(8)16)17-15-12-9-5-6-10(7-9)13(12)15/h2-4,9-10,12-13,15,17H,5-7,16H2,1H3.
What are the key properties of 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine?
3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine is sourced from PubChem (CID 114095351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).