4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO3 — CID 79532324

IUPAC4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC1CC(NCC2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C15H27NO3/c1-2-14-9-13(7-8-19-14)16-10-11-3-5-12(6-4-11)15(17)18/h11-14,16H,2-10H2,1H3,(H,17,18)
InChIKeyYTPJTRVLKBHTFA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.42
Rot. Bonds5

About 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532324) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532324
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC1CC(NCC2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C15H27NO3/c1-2-14-9-13(7-8-19-14)16-10-11-3-5-12(6-4-11)15(17)18/h11-14,16H,2-10H2,1H3,(H,17,18)
InChIKeyYTPJTRVLKBHTFA-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106127626
tert-butyl 3-[[(2-ethyloxan-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242518
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105246
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114240737
2-ethyl-N-methoxyoxan-4-amine
CID 82706412
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79532324) is 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is CCC1CC(NCC2CCC(C(=O)O)CC2)CCO1.
What is the InChIKey of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YTPJTRVLKBHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-14-9-13(7-8-19-14)16-10-11-3-5-12(6-4-11)15(17)18/h11-14,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).