2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide

C11H19N3O — CID 116653113

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C11H19N3O/c1-3-6-13-11(15)8-14(2)10(7-12)9-4-5-9/h1,9-10H,4-8,12H2,2H3,(H,13,15)
InChIKeyBPGUGCXIINNNSU-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.60
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide (PubChem CID 116653113) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
PubChem CID116653113
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C11H19N3O/c1-3-6-13-11(15)8-14(2)10(7-12)9-4-5-9/h1,9-10H,4-8,12H2,2H3,(H,13,15)
InChIKeyBPGUGCXIINNNSU-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-propan-2-ylacetamide
CID 51079480
N-cyclopropyl-2-(4-methylpiperidin-1-yl)acetamide
CID 6464841
N-cyclopropyl-2-(3-methylpiperidin-1-yl)acetamide
CID 17282512
2-(Cyclohexyl(ethyl)amino)-N-(prop-2-yn-1-yl)acetamide
CID 45798627
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 45824813
2-methyl-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 45881731
2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
CID 51077611
2-[[2-(Cyclopropylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 53527288
N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71937068
2-[But-2-ynyl(prop-2-ynyl)amino]-N-cyclopentylacetamide
CID 71988860
2-[methyl(prop-2-yn-1-yl)amino]-N-(2-methylcyclohexyl)acetamide
CID 119035277
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 121522578

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide (CID 116653113) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide?
The InChIKey is BPGUGCXIINNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-6-13-11(15)8-14(2)10(7-12)9-4-5-9/h1,9-10H,4-8,12H2,2H3,(H,13,15).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide has a molecular weight of 209.29 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 116653113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).