3-methyl-3-(pent-4-ynylamino)butanamide

C10H18N2O — CID 104580392

IUPAC3-methyl-3-(pent-4-ynylamino)butanamide
SMILESC#CCCCNC(C)(C)CC(N)=O
InChIInChI=1S/C10H18N2O/c1-4-5-6-7-12-10(2,3)8-9(11)13/h1,12H,5-8H2,2-3H3,(H2,11,13)
InChIKeyUGWWLIUQFRQZFM-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds6

About 3-methyl-3-(pent-4-ynylamino)butanamide

3-methyl-3-(pent-4-ynylamino)butanamide (PubChem CID 104580392) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-methyl-3-(pent-4-ynylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(pent-4-ynylamino)butanamide
PubChem CID104580392
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-methyl-3-(pent-4-ynylamino)butanamide
SMILESC#CCCCNC(C)(C)CC(N)=O
InChIInChI=1S/C10H18N2O/c1-4-5-6-7-12-10(2,3)8-9(11)13/h1,12H,5-8H2,2-3H3,(H2,11,13)
InChIKeyUGWWLIUQFRQZFM-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425
3-(hept-6-enylamino)-3-methylbutanamide
CID 107167055
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
2-bromo-2-methyl-N-pent-4-ynylpropanamide
CID 106220855
1-tert-butyl-3-pent-4-ynylurea
CID 103753240
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide
CID 106221318
3-(hex-5-ynylcarbamoylamino)-3-methylbutanoic acid
CID 106216137
tetradec-13-ynamide
CID 19767571
3-(hex-5-ynylamino)propanamide
CID 106211456

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(pent-4-ynylamino)butanamide?
The IUPAC name of 3-methyl-3-(pent-4-ynylamino)butanamide (CID 104580392) is 3-methyl-3-(pent-4-ynylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(pent-4-ynylamino)butanamide?
The canonical SMILES for 3-methyl-3-(pent-4-ynylamino)butanamide is C#CCCCNC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-(pent-4-ynylamino)butanamide?
The InChIKey is UGWWLIUQFRQZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-6-7-12-10(2,3)8-9(11)13/h1,12H,5-8H2,2-3H3,(H2,11,13).
What are the key properties of 3-methyl-3-(pent-4-ynylamino)butanamide?
3-methyl-3-(pent-4-ynylamino)butanamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(pent-4-ynylamino)butanamide is sourced from PubChem (CID 104580392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).