N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide

C13H28N2O — CID 106140383

IUPACN-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC(C)(C)CCCN
InChIInChI=1S/C13H28N2O/c1-6-13(4,5)11(16)15-10-12(2,3)8-7-9-14/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyTUBIVFIDQRDEIK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide

N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide (PubChem CID 106140383) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
PubChem CID106140383
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC(C)(C)CCCN
InChIInChI=1S/C13H28N2O/c1-6-13(4,5)11(16)15-10-12(2,3)8-7-9-14/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyTUBIVFIDQRDEIK-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylpropanamide
CID 106140502
N-(5-amino-2,2-dimethylpentyl)-2-methoxy-2-methylpropanamide
CID 106140447
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148301
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
N-(5-amino-2,2-dimethylpentyl)-2-cyclopropylacetamide
CID 106140404
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide (CID 106140383) is N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCC(C)(C)CCCN.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide?
The InChIKey is TUBIVFIDQRDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(4,5)11(16)15-10-12(2,3)8-7-9-14/h6-10,14H2,1-5H3,(H,15,16).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide?
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 106140383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).