1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine

C18H30N2O — CID 115939879

IUPAC1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OC2CCCCC2C)cn1
InChIInChI=1S/C18H30N2O/c1-4-12-19-16(5-2)17-11-10-15(13-20-17)21-18-9-7-6-8-14(18)3/h10-11,13-14,16,18-19H,4-9,12H2,1-3H3
InChIKeyRDRZDCOQJKJSSY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.49
Rot. Bonds7

About 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine

1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine (PubChem CID 115939879) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
PubChem CID115939879
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OC2CCCCC2C)cn1
InChIInChI=1S/C18H30N2O/c1-4-12-19-16(5-2)17-11-10-15(13-20-17)21-18-9-7-6-8-14(18)3/h10-11,13-14,16,18-19H,4-9,12H2,1-3H3
InChIKeyRDRZDCOQJKJSSY-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
CID 112584679
N-cyclopropyl-N-propyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939237
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine (CID 115939879) is 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OC2CCCCC2C)cn1.
What is the InChIKey of 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine?
The InChIKey is RDRZDCOQJKJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-16(5-2)17-11-10-15(13-20-17)21-18-9-7-6-8-14(18)3/h10-11,13-14,16,18-19H,4-9,12H2,1-3H3.
What are the key properties of 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine?
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115939879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).