N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine

C15H22N2O — CID 115249300

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
SMILESCN(CC1(CN)COC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O/c1-17(9-15(8-16)10-18-11-15)14-6-5-12-3-2-4-13(12)7-14/h5-7H,2-4,8-11,16H2,1H3
InChIKeyYNBPLSWKBGPEDA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.59
Rot. Bonds4

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine (PubChem CID 115249300) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
PubChem CID115249300
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
SMILESCN(CC1(CN)COC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O/c1-17(9-15(8-16)10-18-11-15)14-6-5-12-3-2-4-13(12)7-14/h5-7H,2-4,8-11,16H2,1H3
InChIKeyYNBPLSWKBGPEDA-UHFFFAOYSA-N
XLogP1.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247864
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 115244605
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methylpyridin-3-amine
CID 115249359
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115243960
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 63739983
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115212957

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine (CID 115249300) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine is CN(CC1(CN)COC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
The InChIKey is YNBPLSWKBGPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(9-15(8-16)10-18-11-15)14-6-5-12-3-2-4-13(12)7-14/h5-7H,2-4,8-11,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine has a molecular weight of 246.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 115249300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).