3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid

C14H20N2O2 — CID 114699082

IUPAC3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cnccc1CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-6-5-12(10)9-16-13-4-2-3-11(7-13)14(17)18/h5-6,8,11,13,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyDZVVDIYGUVISNS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.12
Rot. Bonds4

About 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid

3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 114699082) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID114699082
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cnccc1CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-6-5-12(10)9-16-13-4-2-3-11(7-13)14(17)18/h5-6,8,11,13,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyDZVVDIYGUVISNS-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114957079
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
3-(pyrimidin-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 65066829
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 55148655
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114698819
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
1-[(3-methyl-4-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 130877844
1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid (CID 114699082) is 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid is Cc1cnccc1CNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DZVVDIYGUVISNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-15-6-5-12(10)9-16-13-4-2-3-11(7-13)14(17)18/h5-6,8,11,13,16H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114699082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).