N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

C13H17N3OSe — CID 106871772

IUPACN-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
SMILESCOC1CCCC(Nc2cccc3c2N=[Se]=N3)C1
InChIInChI=1S/C13H17N3OSe/c1-17-10-5-2-4-9(8-10)14-11-6-3-7-12-13(11)16-18-15-12/h3,6-7,9-10,14H,2,4-5,8H2,1H3
InChIKeyCIHGELSUAJXBCU-UHFFFAOYSA-N
MW310.26 g/mol
LogP3.40
Rot. Bonds3

About N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine (PubChem CID 106871772) has the molecular formula C13H17N3OSe and a molecular weight of 310.26 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
PubChem CID106871772
Molecular FormulaC13H17N3OSe
Molecular Weight310.26 g/mol
Exact Mass311.05
IUPAC NameN-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
SMILESCOC1CCCC(Nc2cccc3c2N=[Se]=N3)C1
InChIInChI=1S/C13H17N3OSe/c1-17-10-5-2-4-9(8-10)14-11-6-3-7-12-13(11)16-18-15-12/h3,6-7,9-10,14H,2,4-5,8H2,1H3
InChIKeyCIHGELSUAJXBCU-UHFFFAOYSA-N
XLogP3.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
CID 106871747
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
2-[(3-methoxycyclohexyl)amino]-6-methylbenzonitrile
CID 114002933
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
CID 106871626
N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 106871952
N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
CID 106871684
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine (CID 106871772) is N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine is COC1CCCC(Nc2cccc3c2N=[Se]=N3)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
The InChIKey is CIHGELSUAJXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OSe/c1-17-10-5-2-4-9(8-10)14-11-6-3-7-12-13(11)16-18-15-12/h3,6-7,9-10,14H,2,4-5,8H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine has a molecular weight of 310.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine is sourced from PubChem (CID 106871772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).