(E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine

C11H19N — CID 134396731

IUPAC(E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine
SMILESC=CCN(C=C(C)C)/C=C/CC
InChIInChI=1S/C11H19N/c1-5-7-9-12(8-6-2)10-11(3)4/h6-7,9-10H,2,5,8H2,1,3-4H3/b9-7+
InChIKeyPEEZETGVWRFLGY-VQHVLOKHSA-N
MW165.28 g/mol
LogP3.32
Rot. Bonds5

About (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine

(E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine (PubChem CID 134396731) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine
PubChem CID134396731
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine
SMILESC=CCN(C=C(C)C)/C=C/CC
InChIInChI=1S/C11H19N/c1-5-7-9-12(8-6-2)10-11(3)4/h6-7,9-10H,2,5,8H2,1,3-4H3/b9-7+
InChIKeyPEEZETGVWRFLGY-VQHVLOKHSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.32
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 (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine?
The IUPAC name of (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine (CID 134396731) is (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine?
The canonical SMILES for (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine is C=CCN(C=C(C)C)/C=C/CC.
What is the InChIKey of (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine?
The InChIKey is PEEZETGVWRFLGY-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-9-12(8-6-2)10-11(3)4/h6-7,9-10H,2,5,8H2,1,3-4H3/b9-7+.
What are the key properties of (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine?
(E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylprop-1-enyl)-N-prop-2-enylbut-1-en-1-amine is sourced from PubChem (CID 134396731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).