3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide

C10H18N2O — CID 64677680

IUPAC3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
SMILESC#CC(C)(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C10H18N2O/c1-6-10(4,5)12-8(13)7-9(2,3)11/h1H,7,11H2,2-5H3,(H,12,13)
InChIKeySWOGSFOOEOADPX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds3

About 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide

3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide (PubChem CID 64677680) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
PubChem CID64677680
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
SMILESC#CC(C)(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C10H18N2O/c1-6-10(4,5)12-8(13)7-9(2,3)11/h1H,7,11H2,2-5H3,(H,12,13)
InChIKeySWOGSFOOEOADPX-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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

N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604
3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide
CID 115426741
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
CID 86811663
3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65265747
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide
CID 79023372
3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724126
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106428040
methyl 2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetate
CID 112617293
2-(3-methylazetidin-3-yl)oxy-N-(2-methylbut-3-yn-2-yl)acetamide
CID 102656217
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide (CID 64677680) is 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide is C#CC(C)(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide?
The InChIKey is SWOGSFOOEOADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-10(4,5)12-8(13)7-9(2,3)11/h1H,7,11H2,2-5H3,(H,12,13).
What are the key properties of 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide?
3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide is sourced from PubChem (CID 64677680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).