N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine

C18H28N2O — CID 62290018

IUPACN-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CC(Oc2ccnc(CNC3CC3)c2)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-13-8-17(11-18(2,3)10-13)21-16-6-7-19-15(9-16)12-20-14-4-5-14/h6-7,9,13-14,17,20H,4-5,8,10-12H2,1-3H3
InChIKeyMGPOPRUUYNOSCV-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.93
Rot. Bonds5

About N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62290018) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62290018
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CC(Oc2ccnc(CNC3CC3)c2)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-13-8-17(11-18(2,3)10-13)21-16-6-7-19-15(9-16)12-20-14-4-5-14/h6-7,9,13-14,17,20H,4-5,8,10-12H2,1-3H3
InChIKeyMGPOPRUUYNOSCV-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid
CID 43326039
N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64730619
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine
CID 79251421
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
N-[(4-cycloheptyloxy-2-pyridinyl)methyl]ethanamine
CID 62297885
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
CID 62293645
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102723120

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine (CID 62290018) is N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine is CC1CC(Oc2ccnc(CNC3CC3)c2)CC(C)(C)C1.
What is the InChIKey of N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MGPOPRUUYNOSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-8-17(11-18(2,3)10-13)21-16-6-7-19-15(9-16)12-20-14-4-5-14/h6-7,9,13-14,17,20H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62290018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).