2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide

C13H24N2O — CID 63683674

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-3-12(14)13(16)15(2)8-11-7-9-4-5-10(11)6-9/h9-12H,3-8,14H2,1-2H3
InChIKeySYNUVIVXPQABQU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide (PubChem CID 63683674) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
PubChem CID63683674
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-3-12(14)13(16)15(2)8-11-7-9-4-5-10(11)6-9/h9-12H,3-8,14H2,1-2H3
InChIKeySYNUVIVXPQABQU-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 63681786
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
CID 63683339
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-butan-2-ylamino]acetic acid
CID 63684063
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
CID 55233234
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclobutane-1-carboxamide
CID 81169750
(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82964218

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide (CID 63683674) is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide is CCC(N)C(=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide?
The InChIKey is SYNUVIVXPQABQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-12(14)13(16)15(2)8-11-7-9-4-5-10(11)6-9/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide?
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide is sourced from PubChem (CID 63683674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).