N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine

C18H30N2O — CID 81253547

IUPACN-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(OCC2CCCCC2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C18H30N2O/c1-14-10-17(21-13-15-8-6-5-7-9-15)16(11-19-14)12-20-18(2,3)4/h10-11,15,20H,5-9,12-13H2,1-4H3
InChIKeyXFQDMZIGUIIFRP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.24
Rot. Bonds5

About N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 81253547) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID81253547
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(OCC2CCCCC2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C18H30N2O/c1-14-10-17(21-13-15-8-6-5-7-9-15)16(11-19-14)12-20-18(2,3)4/h10-11,15,20H,5-9,12-13H2,1-4H3
InChIKeyXFQDMZIGUIIFRP-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 81253547) is N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(OCC2CCCCC2)c(CNC(C)(C)C)cn1.
What is the InChIKey of N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XFQDMZIGUIIFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-10-17(21-13-15-8-6-5-7-9-15)16(11-19-14)12-20-18(2,3)4/h10-11,15,20H,5-9,12-13H2,1-4H3.
What are the key properties of N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81253547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).