(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine

C9H18N2 — CID 164911601

IUPAC(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine
SMILESCC/N=C/C(=C(/C)N)C(C)C
InChIInChI=1S/C9H18N2/c1-5-11-6-9(7(2)3)8(4)10/h6-7H,5,10H2,1-4H3/b9-8+,11-6+
InChIKeySKEJAIZWOHWHRZ-LJOQIOMMSA-N
MW154.26 g/mol
LogP1.97
Rot. Bonds3

About (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine

(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine (PubChem CID 164911601) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine
PubChem CID164911601
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine
SMILESCC/N=C/C(=C(/C)N)C(C)C
InChIInChI=1S/C9H18N2/c1-5-11-6-9(7(2)3)8(4)10/h6-7H,5,10H2,1-4H3/b9-8+,11-6+
InChIKeySKEJAIZWOHWHRZ-LJOQIOMMSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.97
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 (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine?
The IUPAC name of (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine (CID 164911601) is (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine.
What is the SMILES notation for (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine?
The canonical SMILES for (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine is CC/N=C/C(=C(/C)N)C(C)C.
What is the InChIKey of (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine?
The InChIKey is SKEJAIZWOHWHRZ-LJOQIOMMSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11-6-9(7(2)3)8(4)10/h6-7H,5,10H2,1-4H3/b9-8+,11-6+.
What are the key properties of (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine?
(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine is sourced from PubChem (CID 164911601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).