N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine

C16H24Cl2N4O — CID 91521077

IUPACN-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine
SMILESClc1nc(Cl)nc(ONC2=CCCCCCCCCCCC2)n1
InChIInChI=1S/C16H24Cl2N4O/c17-14-19-15(18)21-16(20-14)23-22-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h11,22H,1-10,12H2
InChIKeyMQCSMMCFGVZLNP-UHFFFAOYSA-N
MW359.30 g/mol
LogP5.25
Rot. Bonds3

About N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine

N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine (PubChem CID 91521077) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine.

Molecular Properties

Compound NameN-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine
PubChem CID91521077
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC NameN-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine
SMILESClc1nc(Cl)nc(ONC2=CCCCCCCCCCCC2)n1
InChIInChI=1S/C16H24Cl2N4O/c17-14-19-15(18)21-16(20-14)23-22-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h11,22H,1-10,12H2
InChIKeyMQCSMMCFGVZLNP-UHFFFAOYSA-N
XLogP5.25
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-chloro-6-(cyclotridecen-1-ylamino)oxy-1,3,5-triazin-2-yl]oxy]cyclotridecen-1-amine
CID 91221238
N-[[4,6-bis[(cycloocten-1-ylamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloocten-1-amine
CID 90930542
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
CID 117059096
N-[2-(cyclododecen-1-ylamino)oxypyrimidin-4-yl]oxycyclododecen-1-amine
CID 91121268
1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
4,6-dichloro-N-(cyclohexen-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 163443653
N-(2-aminoethoxy)cyclohexen-1-amine
CID 90726751
N-trimethylsilyloxycyclopenten-1-amine
CID 91482678
1-(cyclohepten-1-yl)-2-methylhydrazine
CID 19049041
(cyclododecen-1-ylamino) benzenesulfonate
CID 91037986
(1E)-N-ethenylcycloocten-1-amine
CID 67050808
3-(cyclohexen-1-ylamino)oxypropanoic acid
CID 57306132

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine?
The IUPAC name of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine (CID 91521077) is N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine.
What is the SMILES notation for N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine?
The canonical SMILES for N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine is Clc1nc(Cl)nc(ONC2=CCCCCCCCCCCC2)n1.
What is the InChIKey of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine?
The InChIKey is MQCSMMCFGVZLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N4O/c17-14-19-15(18)21-16(20-14)23-22-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h11,22H,1-10,12H2.
What are the key properties of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine?
N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine has a molecular weight of 359.30 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine is sourced from PubChem (CID 91521077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).