3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide

C12H22N2O — CID 63681793

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
SMILESCC(CNCC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C12H22N2O/c1-8(12(13)15)6-14-7-11-5-9-2-3-10(11)4-9/h8-11,14H,2-7H2,1H3,(H2,13,15)
InChIKeyQPQLJYHOJZVIDL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.13
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide

3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide (PubChem CID 63681793) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
PubChem CID63681793
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
SMILESCC(CNCC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C12H22N2O/c1-8(12(13)15)6-14-7-11-5-9-2-3-10(11)4-9/h8-11,14H,2-7H2,1H3,(H2,13,15)
InChIKeyQPQLJYHOJZVIDL-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
CID 77027648
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
CID 63682865
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide (CID 63681793) is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide is CC(CNCC1CC2CCC1C2)C(N)=O.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide?
The InChIKey is QPQLJYHOJZVIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(12(13)15)6-14-7-11-5-9-2-3-10(11)4-9/h8-11,14H,2-7H2,1H3,(H2,13,15).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide?
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide is sourced from PubChem (CID 63681793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).