2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide

C12H25N3O — CID 61488181

IUPAC2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(CCN)C(C)C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-15(11-5-6-11)12(16)9-14(8-7-13)10(2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyOXYWYAVWBSQNDX-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds7

About 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide

2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488181) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
PubChem CID61488181
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(CCN)C(C)C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-15(11-5-6-11)12(16)9-14(8-7-13)10(2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyOXYWYAVWBSQNDX-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide (CID 61488181) is 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN(CCN)C(C)C)C1CC1.
What is the InChIKey of 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is OXYWYAVWBSQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(11-5-6-11)12(16)9-14(8-7-13)10(2)3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide?
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).