N,N,3-trimethylbut-2-en-2-amine

C14H30N2 — CID 159767958

IUPACN,N,3-trimethylbut-2-en-2-amine
SMILESCC(C)=C(C)N(C)C.CC(C)=C(C)N(C)C
InChIInChI=1S/2C7H15N/c2*1-6(2)7(3)8(4)5/h2*1-5H3
InChIKeyNFSYHARTJNKRHL-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.72
Rot. Bonds2

About N,N,3-trimethylbut-2-en-2-amine

N,N,3-trimethylbut-2-en-2-amine (PubChem CID 159767958) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N,3-trimethylbut-2-en-2-amine.

Molecular Properties

Compound NameN,N,3-trimethylbut-2-en-2-amine
PubChem CID159767958
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N,3-trimethylbut-2-en-2-amine
SMILESCC(C)=C(C)N(C)C.CC(C)=C(C)N(C)C
InChIInChI=1S/2C7H15N/c2*1-6(2)7(3)8(4)5/h2*1-5H3
InChIKeyNFSYHARTJNKRHL-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine
CID 15415047
N,N,3-trimethylbut-2-en-2-amine
CID 15569623
N-ethyl-N,3-dimethylbut-2-en-2-amine
CID 54475028
1,2,3,4,5,6-Hexamethylpyrazine
CID 58302944
N-ethyl-3-methyl-N-propan-2-ylbut-2-en-2-amine
CID 89031029
N-tert-butyl-N,3-dimethylbut-2-en-2-amine
CID 124177601
N,3-dimethyl-N-propylbut-2-en-2-amine
CID 129106801
ethane;N,N,3-trimethylbut-2-en-2-amine
CID 142512148
(Z)-2-N,3-N-diethyl-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 156372150
2-Isocyano-3-methylbut-2-ene
CID 157763927
(Z)-2-N,2-N,3-N,3-N-tetramethylbut-2-ene-2,3-diamine
CID 13095140

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylbut-2-en-2-amine?
The IUPAC name of N,N,3-trimethylbut-2-en-2-amine (CID 159767958) is N,N,3-trimethylbut-2-en-2-amine.
What is the SMILES notation for N,N,3-trimethylbut-2-en-2-amine?
The canonical SMILES for N,N,3-trimethylbut-2-en-2-amine is CC(C)=C(C)N(C)C.CC(C)=C(C)N(C)C.
What is the InChIKey of N,N,3-trimethylbut-2-en-2-amine?
The InChIKey is NFSYHARTJNKRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N/c2*1-6(2)7(3)8(4)5/h2*1-5H3.
What are the key properties of N,N,3-trimethylbut-2-en-2-amine?
N,N,3-trimethylbut-2-en-2-amine has a molecular weight of 226.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylbut-2-en-2-amine is sourced from PubChem (CID 159767958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).