N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine

C18H20N2Se — CID 176910255

IUPACN-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine
SMILESCN(c1nc2ccc3ccccc3c2[se]1)C1CCCCC1
InChIInChI=1S/C18H20N2Se/c1-20(14-8-3-2-4-9-14)18-19-16-12-11-13-7-5-6-10-15(13)17(16)21-18/h5-7,10-12,14H,2-4,8-9H2,1H3
InChIKeyZRCXJRIBXWXRAK-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.21
Rot. Bonds2

About N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine

N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine (PubChem CID 176910255) has the molecular formula C18H20N2Se and a molecular weight of 343.33 g/mol. Its IUPAC name is N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine
PubChem CID176910255
Molecular FormulaC18H20N2Se
Molecular Weight343.33 g/mol
Exact Mass344.08
IUPAC NameN-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine
SMILESCN(c1nc2ccc3ccccc3c2[se]1)C1CCCCC1
InChIInChI=1S/C18H20N2Se/c1-20(14-8-3-2-4-9-14)18-19-16-12-11-13-7-5-6-10-15(13)17(16)21-18/h5-7,10-12,14H,2-4,8-9H2,1H3
InChIKeyZRCXJRIBXWXRAK-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N,1-dimethylnaphthalen-2-amine
CID 154699282
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 62301035
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
CID 115485759
N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
CID 62280560
2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
CID 63375259
ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
CID 45107020
N-cyclohexyl-N,6-dimethylpyridin-2-amine
CID 133313190
3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine?
The IUPAC name of N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine (CID 176910255) is N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine?
The canonical SMILES for N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine is CN(c1nc2ccc3ccccc3c2[se]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine?
The InChIKey is ZRCXJRIBXWXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2Se/c1-20(14-8-3-2-4-9-14)18-19-16-12-11-13-7-5-6-10-15(13)17(16)21-18/h5-7,10-12,14H,2-4,8-9H2,1H3.
What are the key properties of N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine?
N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine has a molecular weight of 343.33 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylbenzo[g][1,3]benzoselenazol-2-amine is sourced from PubChem (CID 176910255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).