N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine

C18H30N2O — CID 81254183

IUPACN-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCC1Oc1ccncc1CNCC(C)C
InChIInChI=1S/C18H30N2O/c1-4-15-7-5-6-8-17(15)21-18-9-10-19-12-16(18)13-20-11-14(2)3/h9-10,12,14-15,17,20H,4-8,11,13H2,1-3H3
InChIKeyWPESKGXZNYTWCU-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.17
Rot. Bonds7

About N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 81254183) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID81254183
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCC1Oc1ccncc1CNCC(C)C
InChIInChI=1S/C18H30N2O/c1-4-15-7-5-6-8-17(15)21-18-9-10-19-12-16(18)13-20-11-14(2)3/h9-10,12,14-15,17,20H,4-8,11,13H2,1-3H3
InChIKeyWPESKGXZNYTWCU-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 81254393
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250243
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103490454
[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254856
N-[[4-[(5-bromo-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81250685
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
N-[[4-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254245
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661
2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250459

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 81254183) is N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine is CCC1CCCCC1Oc1ccncc1CNCC(C)C.
What is the InChIKey of N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WPESKGXZNYTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-15-7-5-6-8-17(15)21-18-9-10-19-12-16(18)13-20-11-14(2)3/h9-10,12,14-15,17,20H,4-8,11,13H2,1-3H3.
What are the key properties of N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81254183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).