N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine

C11H19NO — CID 104790058

IUPACN,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
SMILESCCC(C)C(NC)c1ccoc1C
InChIInChI=1S/C11H19NO/c1-5-8(2)11(12-4)10-6-7-13-9(10)3/h6-8,11-12H,5H2,1-4H3
InChIKeyKKRSBDXPTZCXEV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.89
Rot. Bonds4

About N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine

N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine (PubChem CID 104790058) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
PubChem CID104790058
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
SMILESCCC(C)C(NC)c1ccoc1C
InChIInChI=1S/C11H19NO/c1-5-8(2)11(12-4)10-6-7-13-9(10)3/h6-8,11-12H,5H2,1-4H3
InChIKeyKKRSBDXPTZCXEV-UHFFFAOYSA-N
XLogP2.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789901
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790174
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 105017381
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789923
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
CID 102804208
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-cyclopropyl-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789875

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine (CID 104790058) is N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine is CCC(C)C(NC)c1ccoc1C.
What is the InChIKey of N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine?
The InChIKey is KKRSBDXPTZCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-8(2)11(12-4)10-6-7-13-9(10)3/h6-8,11-12H,5H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine?
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 104790058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).