1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C11H19ClN2O — CID 60663982

IUPAC1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1ccc(Cl)o1
InChIInChI=1S/C11H19ClN2O/c1-11(2,14(3)4)8-13-7-9-5-6-10(12)15-9/h5-6,13H,7-8H2,1-4H3
InChIKeyCJJILSAKCQOEED-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.36
Rot. Bonds5

About 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 60663982) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID60663982
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1ccc(Cl)o1
InChIInChI=1S/C11H19ClN2O/c1-11(2,14(3)4)8-13-7-9-5-6-10(12)15-9/h5-6,13H,7-8H2,1-4H3
InChIKeyCJJILSAKCQOEED-UHFFFAOYSA-N
XLogP2.36
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110748928
1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60659041
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115875875
N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757649
N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103700076
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 60663982) is 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCc1ccc(Cl)o1.
What is the InChIKey of 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is CJJILSAKCQOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-11(2,14(3)4)8-13-7-9-5-6-10(12)15-9/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 230.74 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 60663982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).