2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C14H27N3O — CID 116652579

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C14H27N3O/c1-5-17(9-11(2)3)14(18)10-16(4)13(8-15)12-6-7-12/h12-13H,2,5-10,15H2,1,3-4H3
InChIKeyGOTIAPARFUHRCR-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.08
Rot. Bonds8

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 116652579) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID116652579
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C14H27N3O/c1-5-17(9-11(2)3)14(18)10-16(4)13(8-15)12-6-7-12/h12-13H,2,5-10,15H2,1,3-4H3
InChIKeyGOTIAPARFUHRCR-UHFFFAOYSA-N
XLogP1.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
CID 116653004
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 116653120
2-[[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 116653040
3-amino-N-ethyl-2-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 106111177
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
CID 116652513
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
CID 62027430
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
CID 106933660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 116652579) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is GOTIAPARFUHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-17(9-11(2)3)14(18)10-16(4)13(8-15)12-6-7-12/h12-13H,2,5-10,15H2,1,3-4H3.
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.08, 8 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-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 116652579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).