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

C14H24N2O3 — CID 106658079

IUPACN'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNC1COC(C)(C)OC1)c1ccco1
InChIInChI=1S/C14H24N2O3/c1-14(2)18-9-11(10-19-14)15-8-12(16(3)4)13-6-5-7-17-13/h5-7,11-12,15H,8-10H2,1-4H3
InChIKeyNEUGVFICQPBOQZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.62
Rot. Bonds5

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

N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 106658079) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID106658079
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNC1COC(C)(C)OC1)c1ccco1
InChIInChI=1S/C14H24N2O3/c1-14(2)18-9-11(10-19-14)15-8-12(16(3)4)13-6-5-7-17-13/h5-7,11-12,15H,8-10H2,1-4H3
InChIKeyNEUGVFICQPBOQZ-UHFFFAOYSA-N
XLogP1.62
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
CID 62702659
1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
CID 102671336
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43223346
N'-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 81251400
N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658931
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 106658079) is N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNC1COC(C)(C)OC1)c1ccco1.
What is the InChIKey of N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is NEUGVFICQPBOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)18-9-11(10-19-14)15-8-12(16(3)4)13-6-5-7-17-13/h5-7,11-12,15H,8-10H2,1-4H3.
What are the key properties of N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 106658079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).