N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide

C11H23N3 — CID 123897271

IUPACN-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide
SMILES[H]/N=C(\C)N(CCC)C(=C)N(C)CCC
InChIInChI=1S/C11H23N3/c1-6-8-13(5)11(4)14(9-7-2)10(3)12/h12H,4,6-9H2,1-3,5H3/b12-10+
InChIKeyOFIKWOROLXDBSM-ZRDIBKRKSA-N
MW197.33 g/mol
LogP2.51
Rot. Bonds6

About N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide

N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide (PubChem CID 123897271) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide.

Molecular Properties

Compound NameN-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide
PubChem CID123897271
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide
SMILES[H]/N=C(\C)N(CCC)C(=C)N(C)CCC
InChIInChI=1S/C11H23N3/c1-6-8-13(5)11(4)14(9-7-2)10(3)12/h12H,4,6-9H2,1-3,5H3/b12-10+
InChIKeyOFIKWOROLXDBSM-ZRDIBKRKSA-N
XLogP2.51
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.51
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'}

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Related Compounds

N-ethenyl-N-propylpropanimidamide
CID 90299150

Frequently Asked Questions

What is the IUPAC name of N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide?
The IUPAC name of N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide (CID 123897271) is N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide.
What is the SMILES notation for N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide?
The canonical SMILES for N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide is [H]/N=C(\C)N(CCC)C(=C)N(C)CCC.
What is the InChIKey of N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide?
The InChIKey is OFIKWOROLXDBSM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-8-13(5)11(4)14(9-7-2)10(3)12/h12H,4,6-9H2,1-3,5H3/b12-10+.
What are the key properties of N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide?
N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide has a molecular weight of 197.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methyl(propyl)amino]ethenyl]-N-propylethanimidamide is sourced from PubChem (CID 123897271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).