4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid

C14H23N3O2 — CID 66161861

IUPAC4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)n1cncc1CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-15-7-13(17)8-16-12-5-3-11(4-6-12)14(18)19/h7,9-12,16H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyVLDSKGWMLOIXGM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.20
Rot. Bonds5

About 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid

4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 66161861) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID66161861
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)n1cncc1CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-15-7-13(17)8-16-12-5-3-11(4-6-12)14(18)19/h7,9-12,16H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyVLDSKGWMLOIXGM-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
CID 66131885
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 66162393
1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one
CID 66163592
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
CID 66162773
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193191
N-[[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66149313
2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 66164359
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
CID 66152012
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid (CID 66161861) is 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid is CC(C)n1cncc1CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VLDSKGWMLOIXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17-9-15-7-13(17)8-16-12-5-3-11(4-6-12)14(18)19/h7,9-12,16H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66161861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).