1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine

C11H20N2O — CID 83175064

IUPAC1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccoc1
InChIInChI=1S/C11H20N2O/c1-11(2,13(3)4)10(12)7-9-5-6-14-8-9/h5-6,8,10H,7,12H2,1-4H3
InChIKeyZMPWZZCKNMJRII-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.49
Rot. Bonds4

About 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine

1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 83175064) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID83175064
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccoc1
InChIInChI=1S/C11H20N2O/c1-11(2,13(3)4)10(12)7-9-5-6-14-8-9/h5-6,8,10H,7,12H2,1-4H3
InChIKeyZMPWZZCKNMJRII-UHFFFAOYSA-N
XLogP1.49
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-diethyl-1-(furan-3-yl)-3-methylbutane-2,3-diamine
CID 83175467
1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 105029951
4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
CID 105177745
1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052780
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
1-(furan-3-yl)octan-2-amine
CID 105029979
[1-(furan-3-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274402
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 103040194
1-(3-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053276
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
1-(furan-3-yl)propane-2-sulfonamide
CID 150211021
[1,1,1-trifluoro-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105215669

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 83175064) is 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine is CN(C)C(C)(C)C(N)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is ZMPWZZCKNMJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,13(3)4)10(12)7-9-5-6-14-8-9/h5-6,8,10H,7,12H2,1-4H3.
What are the key properties of 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 83175064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).