2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine

C11H21N — CID 15063975

IUPAC2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C=C(C)C)CC(C)C
InChIInChI=1S/C11H21N/c1-6-7-12(8-10(2)3)9-11(4)5/h6,8,11H,1,7,9H2,2-5H3
InChIKeyXURZTSORMAQKTK-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.05
Rot. Bonds5

About 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine

2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine (PubChem CID 15063975) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine
PubChem CID15063975
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C=C(C)C)CC(C)C
InChIInChI=1S/C11H21N/c1-6-7-12(8-10(2)3)9-11(4)5/h6,8,11H,1,7,9H2,2-5H3
InChIKeyXURZTSORMAQKTK-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.05
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-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine (CID 15063975) is 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine is C=CCN(C=C(C)C)CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine?
The InChIKey is XURZTSORMAQKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-12(8-10(2)3)9-11(4)5/h6,8,11H,1,7,9H2,2-5H3.
What are the key properties of 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine?
2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 15063975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).