N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide

C9H16N2O2 — CID 107990806

IUPACN-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCNCC(C)O
InChIInChI=1S/C9H16N2O2/c1-3-4-9(13)11-6-5-10-7-8(2)12/h8,10,12H,5-7H2,1-2H3,(H,11,13)
InChIKeyQFOCYRMIICLUPT-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.90
Rot. Bonds5

About N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide

N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide (PubChem CID 107990806) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
PubChem CID107990806
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCNCC(C)O
InChIInChI=1S/C9H16N2O2/c1-3-4-9(13)11-6-5-10-7-8(2)12/h8,10,12H,5-7H2,1-2H3,(H,11,13)
InChIKeyQFOCYRMIICLUPT-UHFFFAOYSA-N
XLogP-0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
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-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593762
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
N-pent-3-ynylbut-2-ynamide
CID 107992893
3-(but-2-ynoylamino)propanoic acid
CID 107986385
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]hexanamide
CID 113430445
N-[2-(dimethylamino)propyl]but-2-ynamide
CID 130725758
N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-carboxamide
CID 104593868
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide (CID 107990806) is N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide is CC#CC(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide?
The InChIKey is QFOCYRMIICLUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-9(13)11-6-5-10-7-8(2)12/h8,10,12H,5-7H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide?
N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide has a molecular weight of 184.24 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide is sourced from PubChem (CID 107990806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).