4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid

C14H25NO3 — CID 114240737

IUPAC4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1COCCC1NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10-9-18-7-6-13(10)15-8-11-2-4-12(5-3-11)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyFXCKNEFEXFNOCK-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.89
Rot. Bonds4

About 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 114240737) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID114240737
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1COCCC1NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10-9-18-7-6-13(10)15-8-11-2-4-12(5-3-11)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyFXCKNEFEXFNOCK-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-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

2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 105366218
4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532481
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol
CID 106133383
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
CID 126846605

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 114240737) is 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is CC1COCCC1NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FXCKNEFEXFNOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-9-18-7-6-13(10)15-8-11-2-4-12(5-3-11)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114240737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).