3-amino-3-methyl-N-octan-2-ylbutanamide

C13H28N2O — CID 64684049

IUPAC3-amino-3-methyl-N-octan-2-ylbutanamide
SMILESCCCCCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C13H28N2O/c1-5-6-7-8-9-11(2)15-12(16)10-13(3,4)14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyPPJKRKDIYSZDPD-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.59
Rot. Bonds8

About 3-amino-3-methyl-N-octan-2-ylbutanamide

3-amino-3-methyl-N-octan-2-ylbutanamide (PubChem CID 64684049) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-3-methyl-N-octan-2-ylbutanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-octan-2-ylbutanamide
PubChem CID64684049
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-3-methyl-N-octan-2-ylbutanamide
SMILESCCCCCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C13H28N2O/c1-5-6-7-8-9-11(2)15-12(16)10-13(3,4)14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyPPJKRKDIYSZDPD-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.59
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

3-amino-N-hexan-2-yl-3-methylbutanamide
CID 64677229
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
N-dodecan-2-ylpropanamide
CID 174988669
2-amino-N-heptan-2-yl-2-methylpropanamide
CID 61264408
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
3-amino-N-heptan-2-ylbutanamide
CID 60836862
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-octan-2-ylbutanamide?
The IUPAC name of 3-amino-3-methyl-N-octan-2-ylbutanamide (CID 64684049) is 3-amino-3-methyl-N-octan-2-ylbutanamide.
What is the SMILES notation for 3-amino-3-methyl-N-octan-2-ylbutanamide?
The canonical SMILES for 3-amino-3-methyl-N-octan-2-ylbutanamide is CCCCCCC(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-octan-2-ylbutanamide?
The InChIKey is PPJKRKDIYSZDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-7-8-9-11(2)15-12(16)10-13(3,4)14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-3-methyl-N-octan-2-ylbutanamide?
3-amino-3-methyl-N-octan-2-ylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.59, 8 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-octan-2-ylbutanamide is sourced from PubChem (CID 64684049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).