N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine

C17H25NO4 — CID 162407890

IUPACN-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine
SMILESc1ccc(CN(CC2COCCO2)CC2COCCO2)cc1
InChIInChI=1S/C17H25NO4/c1-2-4-15(5-3-1)10-18(11-16-13-19-6-8-21-16)12-17-14-20-7-9-22-17/h1-5,16-17H,6-14H2
InChIKeyWJTLTIAEWWYQPI-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.32
Rot. Bonds6

About N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine

N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine (PubChem CID 162407890) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine
PubChem CID162407890
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine
SMILESc1ccc(CN(CC2COCCO2)CC2COCCO2)cc1
InChIInChI=1S/C17H25NO4/c1-2-4-15(5-3-1)10-18(11-16-13-19-6-8-21-16)12-17-14-20-7-9-22-17/h1-5,16-17H,6-14H2
InChIKeyWJTLTIAEWWYQPI-UHFFFAOYSA-N
XLogP1.32
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
The IUPAC name of N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine (CID 162407890) is N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine.
What is the SMILES notation for N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
The canonical SMILES for N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine is c1ccc(CN(CC2COCCO2)CC2COCCO2)cc1.
What is the InChIKey of N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
The InChIKey is WJTLTIAEWWYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-2-4-15(5-3-1)10-18(11-16-13-19-6-8-21-16)12-17-14-20-7-9-22-17/h1-5,16-17H,6-14H2.
What are the key properties of N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine has a molecular weight of 307.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1,4-dioxan-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine is sourced from PubChem (CID 162407890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).