2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine

C11H19N — CID 87439385

IUPAC2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine
SMILESC=CCN(CC=C)CC(C)=CC
InChIInChI=1S/C11H19N/c1-5-8-12(9-6-2)10-11(4)7-3/h5-7H,1-2,8-10H2,3-4H3
InChIKeyHGQJBDRDOLCXIV-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds6

About 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine

2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine (PubChem CID 87439385) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine
PubChem CID87439385
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine
SMILESC=CCN(CC=C)CC(C)=CC
InChIInChI=1S/C11H19N/c1-5-8-12(9-6-2)10-11(4)7-3/h5-7H,1-2,8-10H2,3-4H3
InChIKeyHGQJBDRDOLCXIV-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
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,N-bis(prop-2-enyl)but-2-en-1-amine?
The IUPAC name of 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine (CID 87439385) is 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine.
What is the SMILES notation for 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The canonical SMILES for 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine is C=CCN(CC=C)CC(C)=CC.
What is the InChIKey of 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The InChIKey is HGQJBDRDOLCXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-12(9-6-2)10-11(4)7-3/h5-7H,1-2,8-10H2,3-4H3.
What are the key properties of 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine?
2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine is sourced from PubChem (CID 87439385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).