3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

C18H31N3 — CID 65389885

IUPAC3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C18H31N3/c1-13-16(7-6-12-19-5)14(2)21-17(20-13)15-8-10-18(3,4)11-9-15/h15,19H,6-12H2,1-5H3
InChIKeyCYBYXXOYBPPOII-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.93
Rot. Bonds5

About 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 65389885) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID65389885
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C18H31N3/c1-13-16(7-6-12-19-5)14(2)21-17(20-13)15-8-10-18(3,4)11-9-15/h15,19H,6-12H2,1-5H3
InChIKeyCYBYXXOYBPPOII-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.93
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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Related Compounds

3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
3-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80637394
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65390475
2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65390273
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 64985851
3-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 103346829
3-[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 79968448
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 107924277
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (CID 65389885) is 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is CNCCCc1c(C)nc(C2CCC(C)(C)CC2)nc1C.
What is the InChIKey of 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is CYBYXXOYBPPOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13-16(7-6-12-19-5)14(2)21-17(20-13)15-8-10-18(3,4)11-9-15/h15,19H,6-12H2,1-5H3.
What are the key properties of 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 65389885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).