1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine

C12H22N2O2 — CID 62569447

IUPAC1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCN(C)C(C)CNCc1ccco1
InChIInChI=1S/C12H22N2O2/c1-11(14(2)6-8-15-3)9-13-10-12-5-4-7-16-12/h4-5,7,11,13H,6,8-10H2,1-3H3
InChIKeyWFPZBRUIJFPJGA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.34
Rot. Bonds8

About 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine

1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62569447) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
PubChem CID62569447
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCN(C)C(C)CNCc1ccco1
InChIInChI=1S/C12H22N2O2/c1-11(14(2)6-8-15-3)9-13-10-12-5-4-7-16-12/h4-5,7,11,13H,6,8-10H2,1-3H3
InChIKeyWFPZBRUIJFPJGA-UHFFFAOYSA-N
XLogP1.34
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)propane-1,2-diamine
CID 62568181
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 105418195
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine (CID 62569447) is 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine is COCCN(C)C(C)CNCc1ccco1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is WFPZBRUIJFPJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(14(2)6-8-15-3)9-13-10-12-5-4-7-16-12/h4-5,7,11,13H,6,8-10H2,1-3H3.
What are the key properties of 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62569447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).