N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide

C13H22N2O — CID 79358552

IUPACN-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
SMILESC#CCNC(=O)C(C)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H22N2O/c1-7-8-14-10(16)9(2)15-11-12(3,4)13(11,5)6/h1,9,11,15H,8H2,2-6H3,(H,14,16)
InChIKeyDYGLJYDPOWETGD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.15
Rot. Bonds4

About N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide

N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide (PubChem CID 79358552) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
PubChem CID79358552
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
SMILESC#CCNC(=O)C(C)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H22N2O/c1-7-8-14-10(16)9(2)15-11-12(3,4)13(11,5)6/h1,9,11,15H,8H2,2-6H3,(H,14,16)
InChIKeyDYGLJYDPOWETGD-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
CID 79870047
2-[(1-methylpiperidin-4-yl)amino]-N-prop-2-ynylpropanamide
CID 43373498
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
CID 103062976
2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide
CID 102671061
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 107852454
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
The IUPAC name of N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide (CID 79358552) is N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide.
What is the SMILES notation for N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
The canonical SMILES for N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide is C#CCNC(=O)C(C)NC1C(C)(C)C1(C)C.
What is the InChIKey of N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
The InChIKey is DYGLJYDPOWETGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-7-8-14-10(16)9(2)15-11-12(3,4)13(11,5)6/h1,9,11,15H,8H2,2-6H3,(H,14,16).
What are the key properties of N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide is sourced from PubChem (CID 79358552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).