N,N-dimethylethanamine

C4H10N+ — CID 135042801

IUPACN,N-dimethylethanamine
SMILES[CH2+]CN(C)C
InChIInChI=1S/C4H10N/c1-4-5(2)3/h1,4H2,2-3H3/q+1
InChIKeyOFUYUXGHGHTPSH-UHFFFAOYSA-N
MW72.13 g/mol
LogP0.38
Rot. Bonds1

About N,N-dimethylethanamine

N,N-dimethylethanamine (PubChem CID 135042801) has the molecular formula C4H10N+ and a molecular weight of 72.13 g/mol. Its IUPAC name is N,N-dimethylethanamine.

Molecular Properties

Compound NameN,N-dimethylethanamine
PubChem CID135042801
Molecular FormulaC4H10N+
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC NameN,N-dimethylethanamine
SMILES[CH2+]CN(C)C
InChIInChI=1S/C4H10N/c1-4-5(2)3/h1,4H2,2-3H3/q+1
InChIKeyOFUYUXGHGHTPSH-UHFFFAOYSA-N
XLogP0.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine?
The IUPAC name of N,N-dimethylethanamine (CID 135042801) is N,N-dimethylethanamine.
What is the SMILES notation for N,N-dimethylethanamine?
The canonical SMILES for N,N-dimethylethanamine is [CH2+]CN(C)C.
What is the InChIKey of N,N-dimethylethanamine?
The InChIKey is OFUYUXGHGHTPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N/c1-4-5(2)3/h1,4H2,2-3H3/q+1.
What are the key properties of N,N-dimethylethanamine?
N,N-dimethylethanamine has a molecular weight of 72.13 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine is sourced from PubChem (CID 135042801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).