N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide

C13H25N3O — CID 79287495

IUPACN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C13H25N3O/c1-6-7-14-10-13(17)16(11-12(2)3)9-8-15(4)5/h1,12,14H,7-11H2,2-5H3
InChIKeyDYIPEIGVVNQNPB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.26
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287495) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287495
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C13H25N3O/c1-6-7-14-10-13(17)16(11-12(2)3)9-8-15(4)5/h1,12,14H,7-11H2,2-5H3
InChIKeyDYIPEIGVVNQNPB-UHFFFAOYSA-N
XLogP0.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287756
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 107479313
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 112722315
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287585
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
CID 55009764
N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79286851
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
CID 79203472
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79287394
N-(cyanomethyl)-N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)oxamide
CID 55008997

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide (CID 79287495) is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is DYIPEIGVVNQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-7-14-10-13(17)16(11-12(2)3)9-8-15(4)5/h1,12,14H,7-11H2,2-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).