3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide

C15H20N2O2 — CID 115185496

IUPAC3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)CCCC3)COC1
InChIInChI=1S/C15H20N2O2/c16-8-15(9-19-10-15)14(18)17-13-6-5-11-3-1-2-4-12(11)7-13/h5-7H,1-4,8-10,16H2,(H,17,18)
InChIKeyBHPDKWXCJVTUAM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds3

About 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide

3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide (PubChem CID 115185496) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
PubChem CID115185496
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)CCCC3)COC1
InChIInChI=1S/C15H20N2O2/c16-8-15(9-19-10-15)14(18)17-13-6-5-11-3-1-2-4-12(11)7-13/h5-7H,1-4,8-10,16H2,(H,17,18)
InChIKeyBHPDKWXCJVTUAM-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid
CID 115248273
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
CID 120932205
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
CID 115185518
4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
1-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxamide
CID 113311600
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide (CID 115185496) is 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide is NCC1(C(=O)Nc2ccc3c(c2)CCCC3)COC1.
What is the InChIKey of 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide?
The InChIKey is BHPDKWXCJVTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-8-15(9-19-10-15)14(18)17-13-6-5-11-3-1-2-4-12(11)7-13/h5-7H,1-4,8-10,16H2,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide is sourced from PubChem (CID 115185496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).