3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide

C10H18N2O — CID 115426741

IUPAC3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide
SMILESC#CC(C)(C)NC(=O)C(C)(C)CN
InChIInChI=1S/C10H18N2O/c1-6-10(4,5)12-8(13)9(2,3)7-11/h1H,7,11H2,2-5H3,(H,12,13)
InChIKeyGBMRCBFHRWVASA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.50
Rot. Bonds3

About 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide

3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide (PubChem CID 115426741) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide
PubChem CID115426741
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide
SMILESC#CC(C)(C)NC(=O)C(C)(C)CN
InChIInChI=1S/C10H18N2O/c1-6-10(4,5)12-8(13)9(2,3)7-11/h1H,7,11H2,2-5H3,(H,12,13)
InChIKeyGBMRCBFHRWVASA-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.50
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

3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
CID 64677680
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide
CID 79023372
4-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 79527650
1-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 115437898
methyl 2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetate
CID 112617293
1,3-bis(2-methylbut-3-yn-2-yl)-1-[2-methylbut-3-yn-2-yl(2-methylbut-3-yn-2-ylcarbamoyl)amino]urea
CID 57149147
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
2,3-dimethyl-4-(2-methylbut-3-yn-2-ylamino)-4-oxobut-2-enoic acid
CID 77014818

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide (CID 115426741) is 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide is C#CC(C)(C)NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide?
The InChIKey is GBMRCBFHRWVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-10(4,5)12-8(13)9(2,3)7-11/h1H,7,11H2,2-5H3,(H,12,13).
What are the key properties of 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide?
3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide has a molecular weight of 182.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide is sourced from PubChem (CID 115426741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).