2-(3-aminopropoxy)-N-prop-2-ynylpropanamide

C9H16N2O2 — CID 62343650

IUPAC2-(3-aminopropoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OCCCN
InChIInChI=1S/C9H16N2O2/c1-3-6-11-9(12)8(2)13-7-4-5-10/h1,8H,4-7,10H2,2H3,(H,11,12)
InChIKeyIWRXBHUDUYKRGO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.51
Rot. Bonds6

About 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide

2-(3-aminopropoxy)-N-prop-2-ynylpropanamide (PubChem CID 62343650) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-prop-2-ynylpropanamide
PubChem CID62343650
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(3-aminopropoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OCCCN
InChIInChI=1S/C9H16N2O2/c1-3-6-11-9(12)8(2)13-7-4-5-10/h1,8H,4-7,10H2,2H3,(H,11,12)
InChIKeyIWRXBHUDUYKRGO-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
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

2-(2-aminoethoxy)-N-prop-2-ynylpropanamide
CID 62342840
N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119407306
2,6-diamino-N-prop-2-ynylhexanamide
CID 118953139
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373
methyl (2R)-2-methyl-3-oxo-3-(prop-2-ynylamino)propanoate
CID 124583347
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] propanoate
CID 102519243
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
4-amino-N-prop-2-ynylbutanamide
CID 24695167
2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide
CID 62337386
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide (CID 62343650) is 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide?
The InChIKey is IWRXBHUDUYKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-6-11-9(12)8(2)13-7-4-5-10/h1,8H,4-7,10H2,2H3,(H,11,12).
What are the key properties of 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide?
2-(3-aminopropoxy)-N-prop-2-ynylpropanamide has a molecular weight of 184.24 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 62343650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).