N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine

C16H26N2O — CID 62392345

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)CC2(CN)CCOCC2)cc1
InChIInChI=1S/C16H26N2O/c1-14-3-5-15(6-4-14)11-18(2)13-16(12-17)7-9-19-10-8-16/h3-6H,7-13,17H2,1-2H3
InChIKeyWQOWHFHFTIRCPC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds5

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 62392345) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID62392345
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)CC2(CN)CCOCC2)cc1
InChIInChI=1S/C16H26N2O/c1-14-3-5-15(6-4-14)11-18(2)13-16(12-17)7-9-19-10-8-16/h3-6H,7-13,17H2,1-2H3
InChIKeyWQOWHFHFTIRCPC-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 62392345) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)CC2(CN)CCOCC2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is WQOWHFHFTIRCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-3-5-15(6-4-14)11-18(2)13-16(12-17)7-9-19-10-8-16/h3-6H,7-13,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 62392345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).