2-(dimethylamino)pentanoic acid;prop-2-en-1-amine

C10H22N2O2 — CID 87749672

IUPAC2-(dimethylamino)pentanoic acid;prop-2-en-1-amine
SMILESC=CCN.CCCC(C(=O)O)N(C)C
InChIInChI=1S/C7H15NO2.C3H7N/c1-4-5-6(7(9)10)8(2)3;1-2-3-4/h6H,4-5H2,1-3H3,(H,9,10);2H,1,3-4H2
InChIKeyRFCIHSLAHFRBML-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.93
Rot. Bonds5

About 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine

2-(dimethylamino)pentanoic acid;prop-2-en-1-amine (PubChem CID 87749672) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine.

Molecular Properties

Compound Name2-(dimethylamino)pentanoic acid;prop-2-en-1-amine
PubChem CID87749672
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(dimethylamino)pentanoic acid;prop-2-en-1-amine
SMILESC=CCN.CCCC(C(=O)O)N(C)C
InChIInChI=1S/C7H15NO2.C3H7N/c1-4-5-6(7(9)10)8(2)3;1-2-3-4/h6H,4-5H2,1-3H3,(H,9,10);2H,1,3-4H2
InChIKeyRFCIHSLAHFRBML-UHFFFAOYSA-N
XLogP0.93
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine?
The IUPAC name of 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine (CID 87749672) is 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine.
What is the SMILES notation for 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine?
The canonical SMILES for 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine is C=CCN.CCCC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine?
The InChIKey is RFCIHSLAHFRBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C3H7N/c1-4-5-6(7(9)10)8(2)3;1-2-3-4/h6H,4-5H2,1-3H3,(H,9,10);2H,1,3-4H2.
What are the key properties of 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine?
2-(dimethylamino)pentanoic acid;prop-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pentanoic acid;prop-2-en-1-amine is sourced from PubChem (CID 87749672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).