N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine

C12H19N3 — CID 143183393

IUPACN-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine
SMILESC=CC1=CN(/C(=N\NC)C(C)C)CC=C1
InChIInChI=1S/C12H19N3/c1-5-11-7-6-8-15(9-11)12(10(2)3)14-13-4/h5-7,9-10,13H,1,8H2,2-4H3/b14-12-
InChIKeyVVXMPVRFSPCVPS-OWBHPGMISA-N
MW205.31 g/mol
LogP2.12
Rot. Bonds3

About N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine

N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine (PubChem CID 143183393) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine
PubChem CID143183393
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine
SMILESC=CC1=CN(/C(=N\NC)C(C)C)CC=C1
InChIInChI=1S/C12H19N3/c1-5-11-7-6-8-15(9-11)12(10(2)3)14-13-4/h5-7,9-10,13H,1,8H2,2-4H3/b14-12-
InChIKeyVVXMPVRFSPCVPS-OWBHPGMISA-N
XLogP2.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine (CID 143183393) is N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine is C=CC1=CN(/C(=N\NC)C(C)C)CC=C1.
What is the InChIKey of N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine?
The InChIKey is VVXMPVRFSPCVPS-OWBHPGMISA-N. The full InChI is InChI=1S/C12H19N3/c1-5-11-7-6-8-15(9-11)12(10(2)3)14-13-4/h5-7,9-10,13H,1,8H2,2-4H3/b14-12-.
What are the key properties of N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine?
N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine has a molecular weight of 205.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(5-ethenyl-2H-pyridin-1-yl)-2-methylpropylidene]amino]methanamine is sourced from PubChem (CID 143183393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).