N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C16H22N2O2 — CID 106297138

IUPACN-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCC1(NC(=O)c2ccc3c(c2)CCC3)CCOCC1
InChIInChI=1S/C16H22N2O2/c17-11-16(6-8-20-9-7-16)18-15(19)14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11,17H2,(H,18,19)
InChIKeyNWLAKCFMYBQPEH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.41
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 106297138) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID106297138
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCC1(NC(=O)c2ccc3c(c2)CCC3)CCOCC1
InChIInChI=1S/C16H22N2O2/c17-11-16(6-8-20-9-7-16)18-15(19)14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11,17H2,(H,18,19)
InChIKeyNWLAKCFMYBQPEH-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
CID 114170027
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 114303991
N-[1-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711541
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 106297138) is N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is NCC1(NC(=O)c2ccc3c(c2)CCC3)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is NWLAKCFMYBQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-11-16(6-8-20-9-7-16)18-15(19)14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 106297138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).