N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine

C11H19N — CID 156526087

IUPACN-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine
SMILESC=C(C)C(C)C1C(=C)C1NCC
InChIInChI=1S/C11H19N/c1-6-12-11-9(5)10(11)8(4)7(2)3/h8,10-12H,2,5-6H2,1,3-4H3
InChIKeyYAYCEJAOIIEXAQ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.36
Rot. Bonds4

About N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine

N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine (PubChem CID 156526087) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine
PubChem CID156526087
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine
SMILESC=C(C)C(C)C1C(=C)C1NCC
InChIInChI=1S/C11H19N/c1-6-12-11-9(5)10(11)8(4)7(2)3/h8,10-12H,2,5-6H2,1,3-4H3
InChIKeyYAYCEJAOIIEXAQ-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.36
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 N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine?
The IUPAC name of N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine (CID 156526087) is N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine is C=C(C)C(C)C1C(=C)C1NCC.
What is the InChIKey of N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine?
The InChIKey is YAYCEJAOIIEXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-12-11-9(5)10(11)8(4)7(2)3/h8,10-12H,2,5-6H2,1,3-4H3.
What are the key properties of N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine?
N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine is sourced from PubChem (CID 156526087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).