N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine

C11H22N2 — CID 130433850

IUPACN-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine
SMILESCCNC/C(C=C(C)C)=N/C(C)C
InChIInChI=1S/C11H22N2/c1-6-12-8-11(7-9(2)3)13-10(4)5/h7,10,12H,6,8H2,1-5H3/b13-11+
InChIKeyWMILMVCZKHYCSI-ACCUITESSA-N
MW182.31 g/mol
LogP2.41
Rot. Bonds5

About N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine

N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine (PubChem CID 130433850) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine
PubChem CID130433850
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine
SMILESCCNC/C(C=C(C)C)=N/C(C)C
InChIInChI=1S/C11H22N2/c1-6-12-8-11(7-9(2)3)13-10(4)5/h7,10,12H,6,8H2,1-5H3/b13-11+
InChIKeyWMILMVCZKHYCSI-ACCUITESSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine (CID 130433850) is N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine is CCNC/C(C=C(C)C)=N/C(C)C.
What is the InChIKey of N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine?
The InChIKey is WMILMVCZKHYCSI-ACCUITESSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-12-8-11(7-9(2)3)13-10(4)5/h7,10,12H,6,8H2,1-5H3/b13-11+.
What are the key properties of N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine?
N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine is sourced from PubChem (CID 130433850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).