N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine

C13H26N4 — CID 110918477

IUPACN'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(CCNC1=NCCCN1)C1CCCCC1
InChIInChI=1S/C13H26N4/c1-17(12-6-3-2-4-7-12)11-10-16-13-14-8-5-9-15-13/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyJQHSPPIAERGQIN-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.19
Rot. Bonds4

About N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine

N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 110918477) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
PubChem CID110918477
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(CCNC1=NCCCN1)C1CCCCC1
InChIInChI=1S/C13H26N4/c1-17(12-6-3-2-4-7-12)11-10-16-13-14-8-5-9-15-13/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyJQHSPPIAERGQIN-UHFFFAOYSA-N
XLogP1.19
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine (CID 110918477) is N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine is CN(CCNC1=NCCCN1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is JQHSPPIAERGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-17(12-6-3-2-4-7-12)11-10-16-13-14-8-5-9-15-13/h12H,2-11H2,1H3,(H2,14,15,16).
What are the key properties of N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 110918477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).