N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine

C14H32N2O — CID 170602036

IUPACN,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine
SMILESC=C(CC)NC(C)C.CC.CCC(=O)N(C)C
InChIInChI=1S/C7H15N.C5H11NO.C2H6/c1-5-7(4)8-6(2)3;1-4-5(7)6(2)3;1-2/h6,8H,4-5H2,1-3H3;4H2,1-3H3;1-2H3
InChIKeyKWWGFDQWRIUMJK-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.42
Rot. Bonds4

About N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine

N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine (PubChem CID 170602036) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine
PubChem CID170602036
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine
SMILESC=C(CC)NC(C)C.CC.CCC(=O)N(C)C
InChIInChI=1S/C7H15N.C5H11NO.C2H6/c1-5-7(4)8-6(2)3;1-4-5(7)6(2)3;1-2/h6,8H,4-5H2,1-3H3;4H2,1-3H3;1-2H3
InChIKeyKWWGFDQWRIUMJK-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine?
The IUPAC name of N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine (CID 170602036) is N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine.
What is the SMILES notation for N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine?
The canonical SMILES for N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine is C=C(CC)NC(C)C.CC.CCC(=O)N(C)C.
What is the InChIKey of N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine?
The InChIKey is KWWGFDQWRIUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H11NO.C2H6/c1-5-7(4)8-6(2)3;1-4-5(7)6(2)3;1-2/h6,8H,4-5H2,1-3H3;4H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine?
N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine has a molecular weight of 244.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine is sourced from PubChem (CID 170602036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).