N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide

C12H26N2O2 — CID 175301639

IUPACN-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide
SMILESCCCCCNC(C(=O)N(C)O)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-8-9-13-10(12(2,3)4)11(15)14(5)16/h10,13,16H,6-9H2,1-5H3
InChIKeyWYNDJDBNPWBYQJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.03
Rot. Bonds6

About N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide

N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide (PubChem CID 175301639) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide.

Molecular Properties

Compound NameN-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide
PubChem CID175301639
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide
SMILESCCCCCNC(C(=O)N(C)O)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-8-9-13-10(12(2,3)4)11(15)14(5)16/h10,13,16H,6-9H2,1-5H3
InChIKeyWYNDJDBNPWBYQJ-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
N-ethyl-2-(hexylamino)-N-methylpropanamide
CID 103107347
3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302
(2S)-2-(hex-5-enylamino)-3,3-dimethylbutanoic acid
CID 58005101
2-(pentylamino)propanoic acid
CID 43467235
3-methyl-2-(pentylamino)butanamide
CID 103914102
N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
CID 43112752
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
1-chloro-N-hexyl-4,4-dimethylpentan-3-amine
CID 106353980
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide?
The IUPAC name of N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide (CID 175301639) is N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide.
What is the SMILES notation for N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide?
The canonical SMILES for N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide is CCCCCNC(C(=O)N(C)O)C(C)(C)C.
What is the InChIKey of N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide?
The InChIKey is WYNDJDBNPWBYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-8-9-13-10(12(2,3)4)11(15)14(5)16/h10,13,16H,6-9H2,1-5H3.
What are the key properties of N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide?
N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide has a molecular weight of 230.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide is sourced from PubChem (CID 175301639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).