(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine

C9H18N2 — CID 143147779

IUPAC(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine
SMILESCC/C(=C\C=N\C)CCNC
InChIInChI=1S/C9H18N2/c1-4-9(5-7-10-2)6-8-11-3/h5,7,11H,4,6,8H2,1-3H3/b9-5+,10-7+
InChIKeySWQLZFVYGLNZPY-FWMCCXIMSA-N
MW154.26 g/mol
LogP1.63
Rot. Bonds5

About (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine

(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine (PubChem CID 143147779) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine
PubChem CID143147779
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine
SMILESCC/C(=C\C=N\C)CCNC
InChIInChI=1S/C9H18N2/c1-4-9(5-7-10-2)6-8-11-3/h5,7,11H,4,6,8H2,1-3H3/b9-5+,10-7+
InChIKeySWQLZFVYGLNZPY-FWMCCXIMSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.63
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 (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine?
The IUPAC name of (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine (CID 143147779) is (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine.
What is the SMILES notation for (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine?
The canonical SMILES for (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine is CC/C(=C\C=N\C)CCNC.
What is the InChIKey of (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine?
The InChIKey is SWQLZFVYGLNZPY-FWMCCXIMSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-9(5-7-10-2)6-8-11-3/h5,7,11H,4,6,8H2,1-3H3/b9-5+,10-7+.
What are the key properties of (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine?
(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine is sourced from PubChem (CID 143147779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).