N-methyl-3-(methyliminomethyl)hex-3-en-2-amine

C9H18N2 — CID 123203381

IUPACN-methyl-3-(methyliminomethyl)hex-3-en-2-amine
SMILESCCC=C(/C=N/C)C(C)NC
InChIInChI=1S/C9H18N2/c1-5-6-9(7-10-3)8(2)11-4/h6-8,11H,5H2,1-4H3/b9-6?,10-7+
InChIKeyCLHNGRZHLJZEAC-RCXDVQKISA-N
MW154.26 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-3-(methyliminomethyl)hex-3-en-2-amine

N-methyl-3-(methyliminomethyl)hex-3-en-2-amine (PubChem CID 123203381) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-3-(methyliminomethyl)hex-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-(methyliminomethyl)hex-3-en-2-amine
PubChem CID123203381
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-3-(methyliminomethyl)hex-3-en-2-amine
SMILESCCC=C(/C=N/C)C(C)NC
InChIInChI=1S/C9H18N2/c1-5-6-9(7-10-3)8(2)11-4/h6-8,11H,5H2,1-4H3/b9-6?,10-7+
InChIKeyCLHNGRZHLJZEAC-RCXDVQKISA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 N-methyl-3-(methyliminomethyl)hex-3-en-2-amine?
The IUPAC name of N-methyl-3-(methyliminomethyl)hex-3-en-2-amine (CID 123203381) is N-methyl-3-(methyliminomethyl)hex-3-en-2-amine.
What is the SMILES notation for N-methyl-3-(methyliminomethyl)hex-3-en-2-amine?
The canonical SMILES for N-methyl-3-(methyliminomethyl)hex-3-en-2-amine is CCC=C(/C=N/C)C(C)NC.
What is the InChIKey of N-methyl-3-(methyliminomethyl)hex-3-en-2-amine?
The InChIKey is CLHNGRZHLJZEAC-RCXDVQKISA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-9(7-10-3)8(2)11-4/h6-8,11H,5H2,1-4H3/b9-6?,10-7+.
What are the key properties of N-methyl-3-(methyliminomethyl)hex-3-en-2-amine?
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methyliminomethyl)hex-3-en-2-amine is sourced from PubChem (CID 123203381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).