1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine

C13H22N4 — CID 115309530

IUPAC1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1ccnc(NC(CN)C2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-10-7-8-15-13(16-10)17-12(9-14)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9,14H2,1H3,(H,15,16,17)
InChIKeyNNDBPBSIRLLRPP-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine

1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 115309530) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID115309530
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1ccnc(NC(CN)C2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-10-7-8-15-13(16-10)17-12(9-14)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9,14H2,1H3,(H,15,16,17)
InChIKeyNNDBPBSIRLLRPP-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine (CID 115309530) is 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine is Cc1ccnc(NC(CN)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is NNDBPBSIRLLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-7-8-15-13(16-10)17-12(9-14)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9,14H2,1H3,(H,15,16,17).
What are the key properties of 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115309530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).