4-(2,6-dimethylheptan-4-ylamino)butanamide

C13H28N2O — CID 60863746

IUPAC4-(2,6-dimethylheptan-4-ylamino)butanamide
SMILESCC(C)CC(CC(C)C)NCCCC(N)=O
InChIInChI=1S/C13H28N2O/c1-10(2)8-12(9-11(3)4)15-7-5-6-13(14)16/h10-12,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyCCJFRUMXDABESB-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds9

About 4-(2,6-dimethylheptan-4-ylamino)butanamide

4-(2,6-dimethylheptan-4-ylamino)butanamide (PubChem CID 60863746) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2,6-dimethylheptan-4-ylamino)butanamide.

Molecular Properties

Compound Name4-(2,6-dimethylheptan-4-ylamino)butanamide
PubChem CID60863746
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2,6-dimethylheptan-4-ylamino)butanamide
SMILESCC(C)CC(CC(C)C)NCCCC(N)=O
InChIInChI=1S/C13H28N2O/c1-10(2)8-12(9-11(3)4)15-7-5-6-13(14)16/h10-12,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyCCJFRUMXDABESB-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
3-(ethylamino)-5-methylhexanamide
CID 64989014
methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
3-(propan-2-ylamino)propanamide
CID 18768059
3-[(5-amino-5-oxopentyl)amino]butanoic acid
CID 106237220
4-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
CID 103244197
5-(hexan-2-ylamino)pentanamide
CID 106234439
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
3-(heptan-3-ylamino)propanamide
CID 63944906
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylheptan-4-ylamino)butanamide?
The IUPAC name of 4-(2,6-dimethylheptan-4-ylamino)butanamide (CID 60863746) is 4-(2,6-dimethylheptan-4-ylamino)butanamide.
What is the SMILES notation for 4-(2,6-dimethylheptan-4-ylamino)butanamide?
The canonical SMILES for 4-(2,6-dimethylheptan-4-ylamino)butanamide is CC(C)CC(CC(C)C)NCCCC(N)=O.
What is the InChIKey of 4-(2,6-dimethylheptan-4-ylamino)butanamide?
The InChIKey is CCJFRUMXDABESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)8-12(9-11(3)4)15-7-5-6-13(14)16/h10-12,15H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of 4-(2,6-dimethylheptan-4-ylamino)butanamide?
4-(2,6-dimethylheptan-4-ylamino)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylheptan-4-ylamino)butanamide is sourced from PubChem (CID 60863746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).