3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide

C10H21N3O — CID 61434863

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)CC1CCCO1
InChIInChI=1S/C10H21N3O/c1-2-13(6-5-10(11)12)8-9-4-3-7-14-9/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyYEBSHOVDHPWOHD-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds6

About 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide

3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide (PubChem CID 61434863) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide
PubChem CID61434863
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)CC1CCCO1
InChIInChI=1S/C10H21N3O/c1-2-13(6-5-10(11)12)8-9-4-3-7-14-9/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyYEBSHOVDHPWOHD-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide (CID 61434863) is 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)CC1CCCO1.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide?
The InChIKey is YEBSHOVDHPWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-13(6-5-10(11)12)8-9-4-3-7-14-9/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide?
3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 61434863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).