N,N-dimethylethanamine;ethane;2-methylbut-1-ene

C13H33N — CID 142952999

IUPACN,N-dimethylethanamine;ethane;2-methylbut-1-ene
SMILESC=C(C)CC.CC.CC.CCN(C)C
InChIInChI=1S/C5H10.C4H11N.2C2H6/c2*1-4-5(2)3;2*1-2/h2,4H2,1,3H3;4H2,1-3H3;2*1-2H3
InChIKeyMPXJJMRYFUBXBM-UHFFFAOYSA-N
MW203.41 g/mol
LogP4.59
Rot. Bonds2

About N,N-dimethylethanamine;ethane;2-methylbut-1-ene

N,N-dimethylethanamine;ethane;2-methylbut-1-ene (PubChem CID 142952999) has the molecular formula C13H33N and a molecular weight of 203.41 g/mol. Its IUPAC name is N,N-dimethylethanamine;ethane;2-methylbut-1-ene.

Molecular Properties

Compound NameN,N-dimethylethanamine;ethane;2-methylbut-1-ene
PubChem CID142952999
Molecular FormulaC13H33N
Molecular Weight203.41 g/mol
Exact Mass203.26
IUPAC NameN,N-dimethylethanamine;ethane;2-methylbut-1-ene
SMILESC=C(C)CC.CC.CC.CCN(C)C
InChIInChI=1S/C5H10.C4H11N.2C2H6/c2*1-4-5(2)3;2*1-2/h2,4H2,1,3H3;4H2,1-3H3;2*1-2H3
InChIKeyMPXJJMRYFUBXBM-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethylethanamine;ethane;2-methylbut-1-ene?
The IUPAC name of N,N-dimethylethanamine;ethane;2-methylbut-1-ene (CID 142952999) is N,N-dimethylethanamine;ethane;2-methylbut-1-ene.
What is the SMILES notation for N,N-dimethylethanamine;ethane;2-methylbut-1-ene?
The canonical SMILES for N,N-dimethylethanamine;ethane;2-methylbut-1-ene is C=C(C)CC.CC.CC.CCN(C)C.
What is the InChIKey of N,N-dimethylethanamine;ethane;2-methylbut-1-ene?
The InChIKey is MPXJJMRYFUBXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H11N.2C2H6/c2*1-4-5(2)3;2*1-2/h2,4H2,1,3H3;4H2,1-3H3;2*1-2H3.
What are the key properties of N,N-dimethylethanamine;ethane;2-methylbut-1-ene?
N,N-dimethylethanamine;ethane;2-methylbut-1-ene has a molecular weight of 203.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;ethane;2-methylbut-1-ene is sourced from PubChem (CID 142952999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).