3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

C15H30N2O2 — CID 79636297

IUPAC3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N(CC)CCC)C1
InChIInChI=1S/C15H30N2O2/c1-4-10-16-15(14(18)19)9-7-8-13(12-15)17(6-3)11-5-2/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyCJHGTNIPILMSGV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.48
Rot. Bonds8

About 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid (PubChem CID 79636297) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
PubChem CID79636297
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N(CC)CCC)C1
InChIInChI=1S/C15H30N2O2/c1-4-10-16-15(14(18)19)9-7-8-13(12-15)17(6-3)11-5-2/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyCJHGTNIPILMSGV-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965
3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 79626795
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 81061547
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid (CID 79636297) is 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC(N(CC)CCC)C1.
What is the InChIKey of 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CJHGTNIPILMSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-10-16-15(14(18)19)9-7-8-13(12-15)17(6-3)11-5-2/h13,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).