4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide

C14H26N2O2 — CID 103155894

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H26N2O2/c1-16(14(17)7-13(8-15)18-2)9-12-6-10-3-4-11(12)5-10/h10-13H,3-9,15H2,1-2H3
InChIKeyDCPXZBGRPIGARU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.24
Rot. Bonds6

About 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide (PubChem CID 103155894) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
PubChem CID103155894
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H26N2O2/c1-16(14(17)7-13(8-15)18-2)9-12-6-10-3-4-11(12)5-10/h10-13H,3-9,15H2,1-2H3
InChIKeyDCPXZBGRPIGARU-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
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
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
CID 103029139
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-hydroxy-N-methylpentanamide
CID 79199997
(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82964218
(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
N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
CID 55233822
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylacetamide
CID 79611059
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclobutane-1-carboxamide
CID 81169750

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide (CID 103155894) is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide is COC(CN)CC(=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide?
The InChIKey is DCPXZBGRPIGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(14(17)7-13(8-15)18-2)9-12-6-10-3-4-11(12)5-10/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide?
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide has a molecular weight of 254.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 103155894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).