4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C16H29NO3 — CID 106499476

IUPAC4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC1CCC(NCC2(O)CCC(C(=O)O)CC2)CC1C
InChIInChI=1S/C16H29NO3/c1-11-3-4-14(9-12(11)2)17-10-16(20)7-5-13(6-8-16)15(18)19/h11-14,17,20H,3-10H2,1-2H3,(H,18,19)
InChIKeyFBXZJBGZLKAFDX-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.41
Rot. Bonds4

About 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106499476) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106499476
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC1CCC(NCC2(O)CCC(C(=O)O)CC2)CC1C
InChIInChI=1S/C16H29NO3/c1-11-3-4-14(9-12(11)2)17-10-16(20)7-5-13(6-8-16)15(18)19/h11-14,17,20H,3-10H2,1-2H3,(H,18,19)
InChIKeyFBXZJBGZLKAFDX-UHFFFAOYSA-N
XLogP2.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114118153
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
4-hydroxy-4-[[(2-methylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499521
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499567
4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499674
4-hydroxy-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499699
1-[(3,4-dimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64742373
4-[[(2-ethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499307
2-[[(3,4-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253355
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 104854373

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106499476) is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CC1CCC(NCC2(O)CCC(C(=O)O)CC2)CC1C.
What is the InChIKey of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is FBXZJBGZLKAFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11-3-4-14(9-12(11)2)17-10-16(20)7-5-13(6-8-16)15(18)19/h11-14,17,20H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106499476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).