4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide

C17H33N3O — CID 63682344

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCN(C)CC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C17H33N3O/c1-12(2)19-17(3,16(18)21)7-8-20(4)11-15-10-13-5-6-14(15)9-13/h12-15,19H,5-11H2,1-4H3,(H2,18,21)
InChIKeyUSHUPXGYFNFDPC-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.99
Rot. Bonds8

About 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 63682344) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
PubChem CID63682344
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCN(C)CC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C17H33N3O/c1-12(2)19-17(3,16(18)21)7-8-20(4)11-15-10-13-5-6-14(15)9-13/h12-15,19H,5-11H2,1-4H3,(H2,18,21)
InChIKeyUSHUPXGYFNFDPC-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
CID 63682865
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
2-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropylpropanamide
CID 63927049
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 63683776
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710901
2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
CID 79564028
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
CID 63683037

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide (CID 63682344) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide is CC(C)NC(C)(CCN(C)CC1CC2CCC1C2)C(N)=O.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is USHUPXGYFNFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-12(2)19-17(3,16(18)21)7-8-20(4)11-15-10-13-5-6-14(15)9-13/h12-15,19H,5-11H2,1-4H3,(H2,18,21).
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 295.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63682344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).