N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide

C12H23N3 — CID 163484138

IUPACN'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide
SMILESC=C(CC)/N=C/N(C)C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-5-11(2)13-10-15(4)12-6-8-14(3)9-7-12/h10,12H,2,5-9H2,1,3-4H3/b13-10+
InChIKeyCHCMBWGKKYRHSJ-JLHYYAGUSA-N
MW209.34 g/mol
LogP1.96
Rot. Bonds4

About N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide

N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide (PubChem CID 163484138) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide
PubChem CID163484138
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide
SMILESC=C(CC)/N=C/N(C)C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-5-11(2)13-10-15(4)12-6-8-14(3)9-7-12/h10,12H,2,5-9H2,1,3-4H3/b13-10+
InChIKeyCHCMBWGKKYRHSJ-JLHYYAGUSA-N
XLogP1.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide?
The IUPAC name of N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide (CID 163484138) is N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide.
What is the SMILES notation for N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide?
The canonical SMILES for N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide is C=C(CC)/N=C/N(C)C1CCN(C)CC1.
What is the InChIKey of N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide?
The InChIKey is CHCMBWGKKYRHSJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(2)13-10-15(4)12-6-8-14(3)9-7-12/h10,12H,2,5-9H2,1,3-4H3/b13-10+.
What are the key properties of N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide?
N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide has a molecular weight of 209.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N-methyl-N-(1-methylpiperidin-4-yl)methanimidamide is sourced from PubChem (CID 163484138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).