N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

C16H26N2O2 — CID 106658098

IUPACN-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NC1COC(C)(C)OC1)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2)19-11-14(12-20-16)17-15(10-18(3)4)13-8-6-5-7-9-13/h5-9,14-15,17H,10-12H2,1-4H3
InChIKeyPZSREXBRLWSSQI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds5

About N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 106658098) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID106658098
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NC1COC(C)(C)OC1)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2)19-11-14(12-20-16)17-15(10-18(3)4)13-8-6-5-7-9-13/h5-9,14-15,17H,10-12H2,1-4H3
InChIKeyPZSREXBRLWSSQI-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine with MolForge

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Related Compounds

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1-(Morpholin-4-yl)-1-phenylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 106658098) is N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is CN(C)CC(NC1COC(C)(C)OC1)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is PZSREXBRLWSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2)19-11-14(12-20-16)17-15(10-18(3)4)13-8-6-5-7-9-13/h5-9,14-15,17H,10-12H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 106658098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).