N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine

C9H17N3 — CID 142597361

IUPACN-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine
SMILESC=CN(C)/N=C1/CCCCN1C
InChIInChI=1S/C9H17N3/c1-4-12(3)10-9-7-5-6-8-11(9)2/h4H,1,5-8H2,2-3H3/b10-9-
InChIKeyGQKCOYMVRAJMNY-KTKRTIGZSA-N
MW167.26 g/mol
LogP1.49
Rot. Bonds2

About N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine

N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine (PubChem CID 142597361) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine
PubChem CID142597361
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine
SMILESC=CN(C)/N=C1/CCCCN1C
InChIInChI=1S/C9H17N3/c1-4-12(3)10-9-7-5-6-8-11(9)2/h4H,1,5-8H2,2-3H3/b10-9-
InChIKeyGQKCOYMVRAJMNY-KTKRTIGZSA-N
XLogP1.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine?
The IUPAC name of N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine (CID 142597361) is N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine.
What is the SMILES notation for N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine?
The canonical SMILES for N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine is C=CN(C)/N=C1/CCCCN1C.
What is the InChIKey of N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine?
The InChIKey is GQKCOYMVRAJMNY-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-12(3)10-9-7-5-6-8-11(9)2/h4H,1,5-8H2,2-3H3/b10-9-.
What are the key properties of N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine?
N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine has a molecular weight of 167.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine is sourced from PubChem (CID 142597361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).