N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine

C9H16N2 — CID 123218319

IUPACN,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
SMILESC=C(CNC)C(C)=C/C=N/C
InChIInChI=1S/C9H16N2/c1-8(5-6-10-3)9(2)7-11-4/h5-6,11H,2,7H2,1,3-4H3/b8-5?,10-6+
InChIKeyAIGNPUOQVNWXLF-QAMTZMKGSA-N
MW152.24 g/mol
LogP1.41
Rot. Bonds4

About N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine

N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine (PubChem CID 123218319) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
PubChem CID123218319
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
SMILESC=C(CNC)C(C)=C/C=N/C
InChIInChI=1S/C9H16N2/c1-8(5-6-10-3)9(2)7-11-4/h5-6,11H,2,7H2,1,3-4H3/b8-5?,10-6+
InChIKeyAIGNPUOQVNWXLF-QAMTZMKGSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine?
The IUPAC name of N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine (CID 123218319) is N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine.
What is the SMILES notation for N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine?
The canonical SMILES for N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine is C=C(CNC)C(C)=C/C=N/C.
What is the InChIKey of N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine?
The InChIKey is AIGNPUOQVNWXLF-QAMTZMKGSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(5-6-10-3)9(2)7-11-4/h5-6,11H,2,7H2,1,3-4H3/b8-5?,10-6+.
What are the key properties of N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine?
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine is sourced from PubChem (CID 123218319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).