(E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine

C10H21N3 — CID 138702861

IUPAC(E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine
SMILESC=C/C(=C\C(C)N(C)NC)C(C)N
InChIInChI=1S/C10H21N3/c1-6-10(9(3)11)7-8(2)13(5)12-4/h6-9,12H,1,11H2,2-5H3/b10-7+
InChIKeyWEEZDBNVMNGHJI-JXMROGBWSA-N
MW183.30 g/mol
LogP0.90
Rot. Bonds5

About (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine

(E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine (PubChem CID 138702861) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine
PubChem CID138702861
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine
SMILESC=C/C(=C\C(C)N(C)NC)C(C)N
InChIInChI=1S/C10H21N3/c1-6-10(9(3)11)7-8(2)13(5)12-4/h6-9,12H,1,11H2,2-5H3/b10-7+
InChIKeyWEEZDBNVMNGHJI-JXMROGBWSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine?
The IUPAC name of (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine (CID 138702861) is (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine.
What is the SMILES notation for (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine?
The canonical SMILES for (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine is C=C/C(=C\C(C)N(C)NC)C(C)N.
What is the InChIKey of (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine?
The InChIKey is WEEZDBNVMNGHJI-JXMROGBWSA-N. The full InChI is InChI=1S/C10H21N3/c1-6-10(9(3)11)7-8(2)13(5)12-4/h6-9,12H,1,11H2,2-5H3/b10-7+.
What are the key properties of (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine?
(E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine has a molecular weight of 183.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-5-[methyl(methylamino)amino]hex-3-en-2-amine is sourced from PubChem (CID 138702861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).