N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine

C17H29N3O — CID 116778505

IUPACN-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(C2(OCC)CCC(C)CC2)n1
InChIInChI=1S/C17H29N3O/c1-4-11-18-13-15-8-12-19-16(20-15)17(21-5-2)9-6-14(3)7-10-17/h8,12,14,18H,4-7,9-11,13H2,1-3H3
InChIKeyFMHQMYMPZGGFDT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds7

About N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 116778505) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID116778505
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(C2(OCC)CCC(C)CC2)n1
InChIInChI=1S/C17H29N3O/c1-4-11-18-13-15-8-12-19-16(20-15)17(21-5-2)9-6-14(3)7-10-17/h8,12,14,18H,4-7,9-11,13H2,1-3H3
InChIKeyFMHQMYMPZGGFDT-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778595
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116778768
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 116778505) is N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1ccnc(C2(OCC)CCC(C)CC2)n1.
What is the InChIKey of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is FMHQMYMPZGGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-11-18-13-15-8-12-19-16(20-15)17(21-5-2)9-6-14(3)7-10-17/h8,12,14,18H,4-7,9-11,13H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 116778505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).