3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

C14H26N2O2 — CID 106112965

IUPAC3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCOC(CN)C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-13(2)9-5-6-14(3,7-9)12(13)16-11(17)10(8-15)18-4/h9-10,12H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyXAAYZXXBAVJKJJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.29
Rot. Bonds4

About 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (PubChem CID 106112965) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
PubChem CID106112965
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCOC(CN)C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-13(2)9-5-6-14(3,7-9)12(13)16-11(17)10(8-15)18-4/h9-10,12H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyXAAYZXXBAVJKJJ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
5-amino-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
CID 104685167
3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
CID 81079148
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 77045551
3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 64676714
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
methyl 4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 115400634
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 79811133
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 107030769

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (CID 106112965) is 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is COC(CN)C(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The InChIKey is XAAYZXXBAVJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2)9-5-6-14(3,7-9)12(13)16-11(17)10(8-15)18-4/h9-10,12H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is sourced from PubChem (CID 106112965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).