3-ethyl-4-methyliminopent-2-en-2-amine

C8H16N2 — CID 152849528

IUPAC3-ethyl-4-methyliminopent-2-en-2-amine
SMILESCCC(=C(C)N)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-5-8(6(2)9)7(3)10-4/h5,9H2,1-4H3/b8-6?,10-7+
InChIKeyBCOWQPLAGGMILJ-UROOIGCASA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds2

About 3-ethyl-4-methyliminopent-2-en-2-amine

3-ethyl-4-methyliminopent-2-en-2-amine (PubChem CID 152849528) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name3-ethyl-4-methyliminopent-2-en-2-amine
PubChem CID152849528
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethyl-4-methyliminopent-2-en-2-amine
SMILESCCC(=C(C)N)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-5-8(6(2)9)7(3)10-4/h5,9H2,1-4H3/b8-6?,10-7+
InChIKeyBCOWQPLAGGMILJ-UROOIGCASA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
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 3-ethyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of 3-ethyl-4-methyliminopent-2-en-2-amine (CID 152849528) is 3-ethyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for 3-ethyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for 3-ethyl-4-methyliminopent-2-en-2-amine is CCC(=C(C)N)/C(C)=N/C.
What is the InChIKey of 3-ethyl-4-methyliminopent-2-en-2-amine?
The InChIKey is BCOWQPLAGGMILJ-UROOIGCASA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(6(2)9)7(3)10-4/h5,9H2,1-4H3/b8-6?,10-7+.
What are the key properties of 3-ethyl-4-methyliminopent-2-en-2-amine?
3-ethyl-4-methyliminopent-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 152849528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).