2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide

C10H18N4O — CID 116652513

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
SMILESCN(CC(=O)NCC#N)C(CN)C1CC1
InChIInChI=1S/C10H18N4O/c1-14(7-10(15)13-5-4-11)9(6-12)8-2-3-8/h8-9H,2-3,5-7,12H2,1H3,(H,13,15)
InChIKeyRAFOOIZHAAAMHG-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.70
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide (PubChem CID 116652513) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
PubChem CID116652513
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
SMILESCN(CC(=O)NCC#N)C(CN)C1CC1
InChIInChI=1S/C10H18N4O/c1-14(7-10(15)13-5-4-11)9(6-12)8-2-3-8/h8-9H,2-3,5-7,12H2,1H3,(H,13,15)
InChIKeyRAFOOIZHAAAMHG-UHFFFAOYSA-N
XLogP-0.70
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', '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
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
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 121522578
1-[2-[(4-Amino-2-methylbutyl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 142202053
N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60683035
2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684326

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide (CID 116652513) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide is CN(CC(=O)NCC#N)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide?
The InChIKey is RAFOOIZHAAAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14(7-10(15)13-5-4-11)9(6-12)8-2-3-8/h8-9H,2-3,5-7,12H2,1H3,(H,13,15).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide has a molecular weight of 210.28 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 116652513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).