1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid

C9H18N2O2 — CID 114525928

IUPAC1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
SMILESCN(C)CCCNC1(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-11(2)7-3-6-10-9(4-5-9)8(12)13/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyUEUOICLVCZSVSJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds6

About 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid

1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid (PubChem CID 114525928) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
PubChem CID114525928
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
SMILESCN(C)CCCNC1(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-11(2)7-3-6-10-9(4-5-9)8(12)13/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyUEUOICLVCZSVSJ-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
1-(3-hydroxypropylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114989050
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
CID 117011947
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
3-[2-(dimethylamino)ethylamino]-5-methylthiolane-3-carboxylic acid
CID 79949888
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid (CID 114525928) is 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid is CN(C)CCCNC1(C(=O)O)CC1.
What is the InChIKey of 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid?
The InChIKey is UEUOICLVCZSVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)7-3-6-10-9(4-5-9)8(12)13/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid?
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114525928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).