1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H22N2 — CID 61308054

IUPAC1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CC2CCC1C2
InChIInChI=1S/C15H22N2/c1-17(2)15-6-4-3-5-13(15)16-14-10-11-7-8-12(14)9-11/h3-6,11-12,14,16H,7-10H2,1-2H3
InChIKeyCUKGPLPWURDWRD-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.35
Rot. Bonds3

About 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 61308054) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID61308054
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CC2CCC1C2
InChIInChI=1S/C15H22N2/c1-17(2)15-6-4-3-5-13(15)16-14-10-11-7-8-12(14)9-11/h3-6,11-12,14,16H,7-10H2,1-2H3
InChIKeyCUKGPLPWURDWRD-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 61308040
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 54329909
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726471
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 104540446

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 61308054) is 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1CC2CCC1C2.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is CUKGPLPWURDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17(2)15-6-4-3-5-13(15)16-14-10-11-7-8-12(14)9-11/h3-6,11-12,14,16H,7-10H2,1-2H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 230.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 61308054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).