N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline

C16H26N2O — CID 63740502

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)CC2(CN)CCCOC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-13-5-6-15(14(2)9-13)18(3)11-16(10-17)7-4-8-19-12-16/h5-6,9H,4,7-8,10-12,17H2,1-3H3
InChIKeyZOLCNCVIJUHQPT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds4

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline (PubChem CID 63740502) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
PubChem CID63740502
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)CC2(CN)CCCOC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-13-5-6-15(14(2)9-13)18(3)11-16(10-17)7-4-8-19-12-16/h5-6,9H,4,7-8,10-12,17H2,1-3H3
InChIKeyZOLCNCVIJUHQPT-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2,4-trimethylaniline
CID 65010427
N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 63739983
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
CID 63739631
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115249494
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 63532345
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
1-[(N,2,4-trimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 63495824
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline (CID 63740502) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)CC2(CN)CCCOC2)c(C)c1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline?
The InChIKey is ZOLCNCVIJUHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-6-15(14(2)9-13)18(3)11-16(10-17)7-4-8-19-12-16/h5-6,9H,4,7-8,10-12,17H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline has a molecular weight of 262.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 63740502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).