2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine

C10H19N — CID 18683066

IUPAC2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine
SMILESC=CC(C)(C)NC(C)(C)C=C
InChIInChI=1S/C10H19N/c1-7-9(3,4)11-10(5,6)8-2/h7-8,11H,1-2H2,3-6H3
InChIKeyPPDIERCWCKAQJY-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine

2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine (PubChem CID 18683066) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine
PubChem CID18683066
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine
SMILESC=CC(C)(C)NC(C)(C)C=C
InChIInChI=1S/C10H19N/c1-7-9(3,4)11-10(5,6)8-2/h7-8,11H,1-2H2,3-6H3
InChIKeyPPDIERCWCKAQJY-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine?
The IUPAC name of 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine (CID 18683066) is 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine is C=CC(C)(C)NC(C)(C)C=C.
What is the InChIKey of 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine?
The InChIKey is PPDIERCWCKAQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7-9(3,4)11-10(5,6)8-2/h7-8,11H,1-2H2,3-6H3.
What are the key properties of 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine?
2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbut-3-en-2-yl)but-3-en-2-amine is sourced from PubChem (CID 18683066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).