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

C11H20N2O — CID 61420775

IUPAC1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
SMILESCCN(Cc1ccco1)CC(C)(C)N
InChIInChI=1S/C11H20N2O/c1-4-13(9-11(2,3)12)8-10-6-5-7-14-10/h5-7H,4,8-9,12H2,1-3H3
InChIKeyQCRBKTWYOAAANO-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds5

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

1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine (PubChem CID 61420775) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
PubChem CID61420775
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
SMILESCCN(Cc1ccco1)CC(C)(C)N
InChIInChI=1S/C11H20N2O/c1-4-13(9-11(2,3)12)8-10-6-5-7-14-10/h5-7H,4,8-9,12H2,1-3H3
InChIKeyQCRBKTWYOAAANO-UHFFFAOYSA-N
XLogP1.84
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 55089120
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine (CID 61420775) is 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine is CCN(Cc1ccco1)CC(C)(C)N.
What is the InChIKey of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
The InChIKey is QCRBKTWYOAAANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-13(9-11(2,3)12)8-10-6-5-7-14-10/h5-7H,4,8-9,12H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 61420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).