2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide

C15H27N3O — CID 116653120

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN(C)C(CN)C1CC1)C1=CCCC1
InChIInChI=1S/C15H27N3O/c1-3-18(13-6-4-5-7-13)15(19)11-17(2)14(10-16)12-8-9-12/h6,12,14H,3-5,7-11,16H2,1-2H3
InChIKeyWNYQFIANILYQMJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.57
Rot. Bonds7

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 116653120) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID116653120
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN(C)C(CN)C1CC1)C1=CCCC1
InChIInChI=1S/C15H27N3O/c1-3-18(13-6-4-5-7-13)15(19)11-17(2)14(10-16)12-8-9-12/h6,12,14H,3-5,7-11,16H2,1-2H3
InChIKeyWNYQFIANILYQMJ-UHFFFAOYSA-N
XLogP1.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 116653120) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CN(C)C(CN)C1CC1)C1=CCCC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is WNYQFIANILYQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-18(13-6-4-5-7-13)15(19)11-17(2)14(10-16)12-8-9-12/h6,12,14H,3-5,7-11,16H2,1-2H3.
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 265.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 116653120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).