N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol

C7H17NO2 — CID 87069649

IUPACN,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
SMILESC=CCN(C)C.OCCO
InChIInChI=1S/C5H11N.C2H6O2/c1-4-5-6(2)3;3-1-2-4/h4H,1,5H2,2-3H3;3-4H,1-2H2
InChIKeyCBNBSYBOQQSTKF-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.29
Rot. Bonds3

About N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol

N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol (PubChem CID 87069649) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol.

Molecular Properties

Compound NameN,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
PubChem CID87069649
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC NameN,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
SMILESC=CCN(C)C.OCCO
InChIInChI=1S/C5H11N.C2H6O2/c1-4-5-6(2)3;3-1-2-4/h4H,1,5H2,2-3H3;3-4H,1-2H2
InChIKeyCBNBSYBOQQSTKF-UHFFFAOYSA-N
XLogP-0.29
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.29
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 N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol?
The IUPAC name of N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol (CID 87069649) is N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol.
What is the SMILES notation for N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol?
The canonical SMILES for N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol is C=CCN(C)C.OCCO.
What is the InChIKey of N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol?
The InChIKey is CBNBSYBOQQSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H6O2/c1-4-5-6(2)3;3-1-2-4/h4H,1,5H2,2-3H3;3-4H,1-2H2.
What are the key properties of N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol?
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol has a molecular weight of 147.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol is sourced from PubChem (CID 87069649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).