1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid

C16H28N2O2 — CID 79635921

IUPAC1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C1CC1)C1CCCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H28N2O2/c1-2-10-18(13-7-8-13)14-4-3-9-16(11-14,15(19)20)17-12-5-6-12/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyIHOWPIWREXCOPO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.38
Rot. Bonds7

About 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79635921) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79635921
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C1CC1)C1CCCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H28N2O2/c1-2-10-18(13-7-8-13)14-4-3-9-16(11-14,15(19)20)17-12-5-6-12/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyIHOWPIWREXCOPO-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
3-[butan-2-yl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxylic acid
CID 79636593
1-amino-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636531
1-(cyclopropylamino)-3-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79655109
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
CID 79640161
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138
3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid (CID 79635921) is 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid is CCCN(C1CC1)C1CCCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IHOWPIWREXCOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-10-18(13-7-8-13)14-4-3-9-16(11-14,15(19)20)17-12-5-6-12/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79635921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).