1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid

C13H26N2O2 — CID 79636910

IUPAC1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C(C)C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C13H26N2O2/c1-4-8-15(10(2)3)11-6-5-7-13(14,9-11)12(16)17/h10-11H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyXFMJDXHNHLZOOK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.83
Rot. Bonds5

About 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid

1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79636910) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79636910
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C(C)C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C13H26N2O2/c1-4-8-15(10(2)3)11-6-5-7-13(14,9-11)12(16)17/h10-11H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyXFMJDXHNHLZOOK-UHFFFAOYSA-N
XLogP1.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636531
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
CID 79636513
[1-amino-3-[propan-2-yl(propyl)amino]cyclopentyl]methanol
CID 79656528
1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
1-(cyclopropylamino)-3-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79655109
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid (CID 79636910) is 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid is CCCN(C(C)C)C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XFMJDXHNHLZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-15(10(2)3)11-6-5-7-13(14,9-11)12(16)17/h10-11H,4-9,14H2,1-3H3,(H,16,17).
What are the key properties of 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid?
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).