3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid

C14H27NO3 — CID 65066289

IUPAC3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)CC(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H27NO3/c1-10(9-14(2,3)18-4)15-12-7-5-6-11(8-12)13(16)17/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyHMJMHRRZNBBRNQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.42
Rot. Bonds6

About 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid

3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65066289) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID65066289
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)CC(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H27NO3/c1-10(9-14(2,3)18-4)15-12-7-5-6-11(8-12)13(16)17/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyHMJMHRRZNBBRNQ-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
CID 63277832
2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
N-(4-methoxy-4-methylpentan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115724640
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
CID 103784997

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid (CID 65066289) is 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid is COC(C)(C)CC(C)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HMJMHRRZNBBRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(9-14(2,3)18-4)15-12-7-5-6-11(8-12)13(16)17/h10-12,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid?
3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).