2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide

C12H23N3O2 — CID 114150009

IUPAC2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H23N3O2/c1-6-7-13-11(16)10(2)14-8-12(3,17)9-15(4)5/h1,10,14,17H,7-9H2,2-5H3,(H,13,16)
InChIKeyHSPDRHVCHNUMSF-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.97
Rot. Bonds7

About 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide

2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide (PubChem CID 114150009) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
PubChem CID114150009
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H23N3O2/c1-6-7-13-11(16)10(2)14-8-12(3,17)9-15(4)5/h1,10,14,17H,7-9H2,2-5H3,(H,13,16)
InChIKeyHSPDRHVCHNUMSF-UHFFFAOYSA-N
XLogP-0.97
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide
CID 43113233
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylpropanamide
CID 43086299
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyacetamide
CID 103840231
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 54958686
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
2-iodo-N-prop-2-ynylpropanamide
CID 64789120

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide (CID 114150009) is 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC(C)(O)CN(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide?
The InChIKey is HSPDRHVCHNUMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-7-13-11(16)10(2)14-8-12(3,17)9-15(4)5/h1,10,14,17H,7-9H2,2-5H3,(H,13,16).
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide?
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide has a molecular weight of 241.33 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114150009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).