4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide

C16H33N3O — CID 65281752

IUPAC4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCN1CCCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C16H33N3O/c1-13(2)18-16(5,14(17)20)9-12-19-10-6-7-15(3,4)8-11-19/h13,18H,6-12H2,1-5H3,(H2,17,20)
InChIKeyBLGWKZCMULCYAP-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds6

About 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide

4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 65281752) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
PubChem CID65281752
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCN1CCCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C16H33N3O/c1-13(2)18-16(5,14(17)20)9-12-19-10-6-7-15(3,4)8-11-19/h13,18H,6-12H2,1-5H3,(H2,17,20)
InChIKeyBLGWKZCMULCYAP-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide (CID 65281752) is 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide is CC(C)NC(C)(CCN1CCCC(C)(C)CC1)C(N)=O.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is BLGWKZCMULCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)18-16(5,14(17)20)9-12-19-10-6-7-15(3,4)8-11-19/h13,18H,6-12H2,1-5H3,(H2,17,20).
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 283.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 65281752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).