N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine

C18H31N3 — CID 79219154

IUPACN-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1c(CC)nc(C2CCCC2)nc1CC
InChIInChI=1S/C18H31N3/c1-4-12-19-13-11-15-16(5-2)20-18(21-17(15)6-3)14-9-7-8-10-14/h14,19H,4-13H2,1-3H3
InChIKeyQCVCMWGRPJOCMP-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine

N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine (PubChem CID 79219154) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine
PubChem CID79219154
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1c(CC)nc(C2CCCC2)nc1CC
InChIInChI=1S/C18H31N3/c1-4-12-19-13-11-15-16(5-2)20-18(21-17(15)6-3)14-9-7-8-10-14/h14,19H,4-13H2,1-3H3
InChIKeyQCVCMWGRPJOCMP-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine (CID 79219154) is N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine is CCCNCCc1c(CC)nc(C2CCCC2)nc1CC.
What is the InChIKey of N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine?
The InChIKey is QCVCMWGRPJOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-12-19-13-11-15-16(5-2)20-18(21-17(15)6-3)14-9-7-8-10-14/h14,19H,4-13H2,1-3H3.
What are the key properties of N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine?
N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79219154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).