N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine

C11H20N2O — CID 81079891

IUPACN'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)Cc1ccco1
InChIInChI=1S/C11H20N2O/c1-10(8-12)5-6-13(2)9-11-4-3-7-14-11/h3-4,7,10H,5-6,8-9,12H2,1-2H3
InChIKeyCNGWSMZJVGSAPT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.70
Rot. Bonds6

About N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine

N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine (PubChem CID 81079891) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
PubChem CID81079891
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)Cc1ccco1
InChIInChI=1S/C11H20N2O/c1-10(8-12)5-6-13(2)9-11-4-3-7-14-11/h3-4,7,10H,5-6,8-9,12H2,1-2H3
InChIKeyCNGWSMZJVGSAPT-UHFFFAOYSA-N
XLogP1.70
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-[2-[furan-2-ylmethyl(methyl)amino]ethoxy]ethanamine
CID 79479257
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62630263
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine (CID 81079891) is N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine is CC(CN)CCN(C)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine?
The InChIKey is CNGWSMZJVGSAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(8-12)5-6-13(2)9-11-4-3-7-14-11/h3-4,7,10H,5-6,8-9,12H2,1-2H3.
What are the key properties of N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine?
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 81079891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).