3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide

C14H29N3O — CID 106274610

IUPAC3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
SMILESCC(CC1CCCCCN1)NCC(C)(C)C(N)=O
InChIInChI=1S/C14H29N3O/c1-11(17-10-14(2,3)13(15)18)9-12-7-5-4-6-8-16-12/h11-12,16-17H,4-10H2,1-3H3,(H2,15,18)
InChIKeyMWXIQSOFWCGUBJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.40
Rot. Bonds6

About 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide

3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide (PubChem CID 106274610) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
PubChem CID106274610
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
SMILESCC(CC1CCCCCN1)NCC(C)(C)C(N)=O
InChIInChI=1S/C14H29N3O/c1-11(17-10-14(2,3)13(15)18)9-12-7-5-4-6-8-16-12/h11-12,16-17H,4-10H2,1-3H3,(H2,15,18)
InChIKeyMWXIQSOFWCGUBJ-UHFFFAOYSA-N
XLogP1.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol
CID 79560656
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate
CID 79538171
2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide
CID 79560216
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
CID 79560235
2-methyl-1-methylsulfanyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)propan-2-ol
CID 106245971
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429

Frequently Asked Questions

What is the IUPAC name of 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide (CID 106274610) is 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide is CC(CC1CCCCCN1)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide?
The InChIKey is MWXIQSOFWCGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(17-10-14(2,3)13(15)18)9-12-7-5-4-6-8-16-12/h11-12,16-17H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide?
3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).