N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine

C10H18N2 — CID 123415912

IUPACN-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C)C1(C)CCNCC1
InChIInChI=1S/C10H18N2/c1-9(8-11-3)10(2)4-6-12-7-5-10/h8,12H,1,4-7H2,2-3H3/b11-8+
InChIKeyAXVVDOJWCCKSOU-DHZHZOJOSA-N
MW166.27 g/mol
LogP1.63
Rot. Bonds2

About N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine

N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine (PubChem CID 123415912) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine
PubChem CID123415912
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C)C1(C)CCNCC1
InChIInChI=1S/C10H18N2/c1-9(8-11-3)10(2)4-6-12-7-5-10/h8,12H,1,4-7H2,2-3H3/b11-8+
InChIKeyAXVVDOJWCCKSOU-DHZHZOJOSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
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-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine (CID 123415912) is N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine is C=C(/C=N/C)C1(C)CCNCC1.
What is the InChIKey of N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine?
The InChIKey is AXVVDOJWCCKSOU-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(8-11-3)10(2)4-6-12-7-5-10/h8,12H,1,4-7H2,2-3H3/b11-8+.
What are the key properties of N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine?
N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123415912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).