N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine

C16H28N4O — CID 131928057

IUPACN'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ncc(CN(CCN(C)C)C2CCCCC2)cn1
InChIInChI=1S/C16H28N4O/c1-19(2)9-10-20(15-7-5-4-6-8-15)13-14-11-17-16(21-3)18-12-14/h11-12,15H,4-10,13H2,1-3H3
InChIKeyAABLZTKHLPMJIJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.18
Rot. Bonds7

About N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine

N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 131928057) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID131928057
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ncc(CN(CCN(C)C)C2CCCCC2)cn1
InChIInChI=1S/C16H28N4O/c1-19(2)9-10-20(15-7-5-4-6-8-15)13-14-11-17-16(21-3)18-12-14/h11-12,15H,4-10,13H2,1-3H3
InChIKeyAABLZTKHLPMJIJ-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine (CID 131928057) is N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine is COc1ncc(CN(CCN(C)C)C2CCCCC2)cn1.
What is the InChIKey of N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is AABLZTKHLPMJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19(2)9-10-20(15-7-5-4-6-8-15)13-14-11-17-16(21-3)18-12-14/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 131928057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).