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

C13H24N2O — CID 63682682

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-3-12(13(14)16)15(2)8-11-7-9-4-5-10(11)6-9/h9-12H,3-8H2,1-2H3,(H2,14,16)
InChIKeyLSCBZKDSCJKPNR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds5

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

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide (PubChem CID 63682682) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
PubChem CID63682682
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-3-12(13(14)16)15(2)8-11-7-9-4-5-10(11)6-9/h9-12H,3-8H2,1-2H3,(H2,14,16)
InChIKeyLSCBZKDSCJKPNR-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
CID 63682865
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
CID 55232840
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-butan-2-ylamino]acetic acid
CID 63684063
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide (CID 63682682) is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide is CCC(C(N)=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide?
The InChIKey is LSCBZKDSCJKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-12(13(14)16)15(2)8-11-7-9-4-5-10(11)6-9/h9-12H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide?
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide has a molecular weight of 224.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide is sourced from PubChem (CID 63682682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).