N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine

C14H23N — CID 138567821

IUPACN-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine
SMILESC=NC1(CC)C(=C)C1(CC)C(C)=C(C)C
InChIInChI=1S/C14H23N/c1-8-13(11(5)10(3)4)12(6)14(13,9-2)15-7/h6-9H2,1-5H3
InChIKeyTXPJOXZGTFWRLV-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.16
Rot. Bonds4

About N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine

N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine (PubChem CID 138567821) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine.

Molecular Properties

Compound NameN-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine
PubChem CID138567821
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine
SMILESC=NC1(CC)C(=C)C1(CC)C(C)=C(C)C
InChIInChI=1S/C14H23N/c1-8-13(11(5)10(3)4)12(6)14(13,9-2)15-7/h6-9H2,1-5H3
InChIKeyTXPJOXZGTFWRLV-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine?
The IUPAC name of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine (CID 138567821) is N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine.
What is the SMILES notation for N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine?
The canonical SMILES for N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine is C=NC1(CC)C(=C)C1(CC)C(C)=C(C)C.
What is the InChIKey of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine?
The InChIKey is TXPJOXZGTFWRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-8-13(11(5)10(3)4)12(6)14(13,9-2)15-7/h6-9H2,1-5H3.
What are the key properties of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine?
N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine has a molecular weight of 205.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine is sourced from PubChem (CID 138567821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).