N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine

C14H22N2O — CID 54926984

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ncccc1CNC1CCC(C)CC1
InChIInChI=1S/C14H22N2O/c1-11-5-7-13(8-6-11)16-10-12-4-3-9-15-14(12)17-2/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyYHINMRBNVFFMAI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 54926984) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID54926984
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ncccc1CNC1CCC(C)CC1
InChIInChI=1S/C14H22N2O/c1-11-5-7-13(8-6-11)16-10-12-4-3-9-15-14(12)17-2/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyYHINMRBNVFFMAI-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 54927047
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-[[2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62291755
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine (CID 54926984) is N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine is COc1ncccc1CNC1CCC(C)CC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is YHINMRBNVFFMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-7-13(8-6-11)16-10-12-4-3-9-15-14(12)17-2/h3-4,9,11,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 54926984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).