3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

C17H32N2O2 — CID 79626183

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-10-18-17(16(20)21)9-5-6-15(11-17)19(12-13(2)3)14-7-8-14/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyGBFJQXRDVQXYIM-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds8

About 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid (PubChem CID 79626183) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
PubChem CID79626183
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-10-18-17(16(20)21)9-5-6-15(11-17)19(12-13(2)3)14-7-8-14/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyGBFJQXRDVQXYIM-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
3-propan-2-ylsulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79634817
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79626971
3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79633832
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid (CID 79626183) is 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC(N(CC(C)C)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GBFJQXRDVQXYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-10-18-17(16(20)21)9-5-6-15(11-17)19(12-13(2)3)14-7-8-14/h13-15,18H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid?
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79626183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).