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

C15H31N3O — CID 65281802

IUPAC4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN1CCCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-12(2)17-13(14(16)19)6-10-18-9-5-7-15(3,4)8-11-18/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyNTOGHZZHBIPAQF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds6

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

4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide (PubChem CID 65281802) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
PubChem CID65281802
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN1CCCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-12(2)17-13(14(16)19)6-10-18-9-5-7-15(3,4)8-11-18/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyNTOGHZZHBIPAQF-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide (CID 65281802) is 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide is CC(C)NC(CCN1CCCC(C)(C)CC1)C(N)=O.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide?
The InChIKey is NTOGHZZHBIPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)17-13(14(16)19)6-10-18-9-5-7-15(3,4)8-11-18/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide?
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 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-(propan-2-ylamino)butanamide is sourced from PubChem (CID 65281802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).