3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine

C8H15N — CID 126657712

IUPAC3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine
SMILESC=C(C)NC(C)=C(C)C
InChIInChI=1S/C8H15N/c1-6(2)8(5)9-7(3)4/h9H,3H2,1-2,4-5H3
InChIKeyFDEGWNXBWSWPTN-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.42
Rot. Bonds2

About 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine

3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine (PubChem CID 126657712) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine
PubChem CID126657712
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine
SMILESC=C(C)NC(C)=C(C)C
InChIInChI=1S/C8H15N/c1-6(2)8(5)9-7(3)4/h9H,3H2,1-2,4-5H3
InChIKeyFDEGWNXBWSWPTN-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine?
The IUPAC name of 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine (CID 126657712) is 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine.
What is the SMILES notation for 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine?
The canonical SMILES for 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine is C=C(C)NC(C)=C(C)C.
What is the InChIKey of 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine?
The InChIKey is FDEGWNXBWSWPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8(5)9-7(3)4/h9H,3H2,1-2,4-5H3.
What are the key properties of 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine?
3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine has a molecular weight of 125.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-1-en-2-ylbut-2-en-2-amine is sourced from PubChem (CID 126657712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).