N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine

C15H26N4O — CID 66317668

IUPACN'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCOc1cc(N(CCCN)C2CCCCC2)ncn1
InChIInChI=1S/C15H26N4O/c1-2-20-15-11-14(17-12-18-15)19(10-6-9-16)13-7-4-3-5-8-13/h11-13H,2-10,16H2,1H3
InChIKeyWXFVBMVIFWIYOZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds7

About N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine

N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66317668) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID66317668
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCOc1cc(N(CCCN)C2CCCCC2)ncn1
InChIInChI=1S/C15H26N4O/c1-2-20-15-11-14(17-12-18-15)19(10-6-9-16)13-7-4-3-5-8-13/h11-13H,2-10,16H2,1H3
InChIKeyWXFVBMVIFWIYOZ-UHFFFAOYSA-N
XLogP2.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine (CID 66317668) is N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine is CCOc1cc(N(CCCN)C2CCCCC2)ncn1.
What is the InChIKey of N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is WXFVBMVIFWIYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-20-15-11-14(17-12-18-15)19(10-6-9-16)13-7-4-3-5-8-13/h11-13H,2-10,16H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66317668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).