N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide

C11H20N2O — CID 116643823

IUPACN-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide
SMILESCC#CCCNCC(=O)N(C)C(C)C
InChIInChI=1S/C11H20N2O/c1-5-6-7-8-12-9-11(14)13(4)10(2)3/h10,12H,7-9H2,1-4H3
InChIKeyHPDCAWXEGQPCNL-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds5

About N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide

N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide (PubChem CID 116643823) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide
PubChem CID116643823
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide
SMILESCC#CCCNCC(=O)N(C)C(C)C
InChIInChI=1S/C11H20N2O/c1-5-6-7-8-12-9-11(14)13(4)10(2)3/h10,12H,7-9H2,1-4H3
InChIKeyHPDCAWXEGQPCNL-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 43553529
2-(2-acetamidoethylamino)-N-methyl-N-propan-2-ylacetamide
CID 43401676
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
N-methyl-2-(2-methylbutylamino)-N-propan-2-ylacetamide
CID 62691596
N-cyclopropyl-3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 79393868
2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62616475
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330
N-butyl-2-(pent-3-ynylamino)acetamide
CID 116643713
3-(pent-3-ynylamino)butanoic acid
CID 116643865
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide (CID 116643823) is N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide is CC#CCCNCC(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide?
The InChIKey is HPDCAWXEGQPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-8-12-9-11(14)13(4)10(2)3/h10,12H,7-9H2,1-4H3.
What are the key properties of N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide?
N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide has a molecular weight of 196.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 116643823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).