2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide

C11H23N3O — CID 65479525

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC1(CCN)CC1
InChIInChI=1S/C11H23N3O/c1-3-14(8-10(15)13-2)9-11(4-5-11)6-7-12/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyXQAAJGVHJCGGMX-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds7

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide

2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide (PubChem CID 65479525) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide
PubChem CID65479525
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC1(CCN)CC1
InChIInChI=1S/C11H23N3O/c1-3-14(8-10(15)13-2)9-11(4-5-11)6-7-12/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyXQAAJGVHJCGGMX-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide (CID 65479525) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)CC1(CCN)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide?
The InChIKey is XQAAJGVHJCGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-14(8-10(15)13-2)9-11(4-5-11)6-7-12/h3-9,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide?
2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 65479525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).