3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 82743171

IUPAC3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N(C)C2CCOC2)C1
InChIInChI=1S/C15H28N2O3/c1-3-8-16-15(14(18)19)7-4-5-12(10-15)17(2)13-6-9-20-11-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyNKSWNFUZSIXFOI-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds6

About 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid (PubChem CID 82743171) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
PubChem CID82743171
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N(C)C2CCOC2)C1
InChIInChI=1S/C15H28N2O3/c1-3-8-16-15(14(18)19)7-4-5-12(10-15)17(2)13-6-9-20-11-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyNKSWNFUZSIXFOI-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)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

3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 82748855
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636456
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743319
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655803
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid (CID 82743171) is 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC(N(C)C2CCOC2)C1.
What is the InChIKey of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The InChIKey is NKSWNFUZSIXFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-8-16-15(14(18)19)7-4-5-12(10-15)17(2)13-6-9-20-11-13/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82743171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).