N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine

C17H26N2O — CID 81250615

IUPACN-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCC(Oc2ccncc2CNC2CC2)C1
InChIInChI=1S/C17H26N2O/c1-2-13-4-3-5-16(10-13)20-17-8-9-18-11-14(17)12-19-15-6-7-15/h8-9,11,13,15-16,19H,2-7,10,12H2,1H3
InChIKeyRFIKIRRALXFRDK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.68
Rot. Bonds6

About N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250615) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250615
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCC(Oc2ccncc2CNC2CC2)C1
InChIInChI=1S/C17H26N2O/c1-2-13-4-3-5-16(10-13)20-17-8-9-18-11-14(17)12-19-15-6-7-15/h8-9,11,13,15-16,19H,2-7,10,12H2,1H3
InChIKeyRFIKIRRALXFRDK-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105075716
N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254419
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620680
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine
CID 83167821
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine (CID 81250615) is N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine is CCC1CCCC(Oc2ccncc2CNC2CC2)C1.
What is the InChIKey of N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RFIKIRRALXFRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-4-3-5-16(10-13)20-17-8-9-18-11-14(17)12-19-15-6-7-15/h8-9,11,13,15-16,19H,2-7,10,12H2,1H3.
What are the key properties of N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).