N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine

C12H23N3 — CID 91180569

IUPACN,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
SMILESC=C/C(CN(C)C)=N\C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-5-11(10-14(2)3)13-12-6-8-15(4)9-7-12/h5,12H,1,6-10H2,2-4H3/b13-11+
InChIKeyJBCPKPIBQKCEBH-ACCUITESSA-N
MW209.34 g/mol
LogP1.27
Rot. Bonds4

About N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine

N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine (PubChem CID 91180569) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
PubChem CID91180569
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
SMILESC=C/C(CN(C)C)=N\C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-5-11(10-14(2)3)13-12-6-8-15(4)9-7-12/h5,12H,1,6-10H2,2-4H3/b13-11+
InChIKeyJBCPKPIBQKCEBH-ACCUITESSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
CID 123932561
but-3-en-2-imine;ethane;N-methylpiperidin-4-amine
CID 145006356
(E)-N-[(1Z)-buta-1,3-dienyl]-4-piperidin-1-ylbut-3-en-2-imine
CID 170342403
N-[(Z)-1-piperidin-1-ylprop-1-enyl]but-3-en-2-imine
CID 173713979

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine?
The IUPAC name of N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine (CID 91180569) is N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine is C=C/C(CN(C)C)=N\C1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine?
The InChIKey is JBCPKPIBQKCEBH-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(10-14(2)3)13-12-6-8-15(4)9-7-12/h5,12H,1,6-10H2,2-4H3/b13-11+.
What are the key properties of N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine?
N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine is sourced from PubChem (CID 91180569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).