N-(4-aminobutyl)-2,2-dimethylbutanamide

C10H22N2O — CID 62677618

IUPACN-(4-aminobutyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCCN
InChIInChI=1S/C10H22N2O/c1-4-10(2,3)9(13)12-8-6-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyNXGLBFJCTRVDEM-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds6

About N-(4-aminobutyl)-2,2-dimethylbutanamide

N-(4-aminobutyl)-2,2-dimethylbutanamide (PubChem CID 62677618) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,2-dimethylbutanamide
PubChem CID62677618
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(4-aminobutyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCCN
InChIInChI=1S/C10H22N2O/c1-4-10(2,3)9(13)12-8-6-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyNXGLBFJCTRVDEM-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
CID 140860233
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-aminobutyl)-2,2-dimethylbutanamide (CID 62677618) is N-(4-aminobutyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-aminobutyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-aminobutyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2,2-dimethylbutanamide?
The InChIKey is NXGLBFJCTRVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(2,3)9(13)12-8-6-5-7-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-(4-aminobutyl)-2,2-dimethylbutanamide?
N-(4-aminobutyl)-2,2-dimethylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 62677618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).