3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide

C14H30N4O — CID 107912512

IUPAC3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CCC1CCCCN1C
InChIInChI=1S/C14H30N4O/c1-17-8-4-3-5-13(17)6-9-18(11-12-19-2)10-7-14(15)16/h13H,3-12H2,1-2H3,(H3,15,16)
InChIKeyLFLOUIAYJOAVSG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.14
Rot. Bonds9

About 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide

3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide (PubChem CID 107912512) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
PubChem CID107912512
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CCC1CCCCN1C
InChIInChI=1S/C14H30N4O/c1-17-8-4-3-5-13(17)6-9-18(11-12-19-2)10-7-14(15)16/h13H,3-12H2,1-2H3,(H3,15,16)
InChIKeyLFLOUIAYJOAVSG-UHFFFAOYSA-N
XLogP1.14
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide (CID 107912512) is 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CCC1CCCCN1C.
What is the InChIKey of 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
The InChIKey is LFLOUIAYJOAVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-17-8-4-3-5-13(17)6-9-18(11-12-19-2)10-7-14(15)16/h13H,3-12H2,1-2H3,(H3,15,16).
What are the key properties of 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide has a molecular weight of 270.42 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide is sourced from PubChem (CID 107912512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).