N-ethyl-3-methylbut-2-en-2-amine

C7H15N — CID 143053447

IUPACN-ethyl-3-methylbut-2-en-2-amine
SMILESCCNC(C)=C(C)C
InChIInChI=1S/C7H15N/c1-5-8-7(4)6(2)3/h8H,5H2,1-4H3
InChIKeyUIFVKRBTWCJLDG-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.91
Rot. Bonds2

About N-ethyl-3-methylbut-2-en-2-amine

N-ethyl-3-methylbut-2-en-2-amine (PubChem CID 143053447) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-ethyl-3-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methylbut-2-en-2-amine
PubChem CID143053447
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-ethyl-3-methylbut-2-en-2-amine
SMILESCCNC(C)=C(C)C
InChIInChI=1S/C7H15N/c1-5-8-7(4)6(2)3/h8H,5H2,1-4H3
InChIKeyUIFVKRBTWCJLDG-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine
CID 146392783
(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one
CID 89193816
benzene;N-ethylacetamide;propane
CID 123217634
benzene;ethane;N-ethylacetamide
CID 90871799
(Z)-N-ethyl-3-phenoxybut-2-en-2-amine
CID 145478363
[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium
CID 144534926
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
ethylcarbamic acid;yttrium
CID 147921444
(E)-N-ethylbut-2-en-2-amine
CID 18734703
ethylcarbamic acid;molecular hydrogen
CID 142924584
(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
CID 168891341

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylbut-2-en-2-amine?
The IUPAC name of N-ethyl-3-methylbut-2-en-2-amine (CID 143053447) is N-ethyl-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-ethyl-3-methylbut-2-en-2-amine?
The canonical SMILES for N-ethyl-3-methylbut-2-en-2-amine is CCNC(C)=C(C)C.
What is the InChIKey of N-ethyl-3-methylbut-2-en-2-amine?
The InChIKey is UIFVKRBTWCJLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5-8-7(4)6(2)3/h8H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methylbut-2-en-2-amine?
N-ethyl-3-methylbut-2-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylbut-2-en-2-amine is sourced from PubChem (CID 143053447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).