2-(pent-3-ynylamino)-N-propylpropanamide

C11H20N2O — CID 104806535

IUPAC2-(pent-3-ynylamino)-N-propylpropanamide
SMILESCC#CCCNC(C)C(=O)NCCC
InChIInChI=1S/C11H20N2O/c1-4-6-7-9-12-10(3)11(14)13-8-5-2/h10,12H,5,7-9H2,1-3H3,(H,13,14)
InChIKeyYZXWBKXJFQOMIC-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds6

About 2-(pent-3-ynylamino)-N-propylpropanamide

2-(pent-3-ynylamino)-N-propylpropanamide (PubChem CID 104806535) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(pent-3-ynylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(pent-3-ynylamino)-N-propylpropanamide
PubChem CID104806535
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(pent-3-ynylamino)-N-propylpropanamide
SMILESCC#CCCNC(C)C(=O)NCCC
InChIInChI=1S/C11H20N2O/c1-4-6-7-9-12-10(3)11(14)13-8-5-2/h10,12H,5,7-9H2,1-3H3,(H,13,14)
InChIKeyYZXWBKXJFQOMIC-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
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

2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
2-(2-cyanopropylamino)-N-propylpropanamide
CID 61477003
3-(pent-3-ynylamino)butanoic acid
CID 116643865
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
tert-butyl N-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]carbamate
CID 112688734
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
methyl 2-(pent-3-ynylamino)butanoate
CID 116642807
methyl 3-(pent-3-ynylamino)butanoate
CID 116643964
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
2-amino-4-methyl-N-pent-3-ynylpentanamide
CID 116644158
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116

Frequently Asked Questions

What is the IUPAC name of 2-(pent-3-ynylamino)-N-propylpropanamide?
The IUPAC name of 2-(pent-3-ynylamino)-N-propylpropanamide (CID 104806535) is 2-(pent-3-ynylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(pent-3-ynylamino)-N-propylpropanamide?
The canonical SMILES for 2-(pent-3-ynylamino)-N-propylpropanamide is CC#CCCNC(C)C(=O)NCCC.
What is the InChIKey of 2-(pent-3-ynylamino)-N-propylpropanamide?
The InChIKey is YZXWBKXJFQOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-7-9-12-10(3)11(14)13-8-5-2/h10,12H,5,7-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(pent-3-ynylamino)-N-propylpropanamide?
2-(pent-3-ynylamino)-N-propylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-3-ynylamino)-N-propylpropanamide is sourced from PubChem (CID 104806535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).