3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine

C12H21NO — CID 79830782

IUPAC3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1ccco1
InChIInChI=1S/C12H21NO/c1-10(2)13-8-7-12(3,4)11-6-5-9-14-11/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeySGYYUAFPXKHBCV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds5

About 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine

3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79830782) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79830782
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1ccco1
InChIInChI=1S/C12H21NO/c1-10(2)13-8-7-12(3,4)11-6-5-9-14-11/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeySGYYUAFPXKHBCV-UHFFFAOYSA-N
XLogP2.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-N,3-dimethylbutan-1-amine
CID 79830783
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
CID 66001662
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
4-amino-3-(furan-2-yl)-3-methylpentan-1-ol
CID 66089828
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350468
3-(1,2-dihydroacenaphthylen-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 114939848

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 79830782) is 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is SGYYUAFPXKHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)13-8-7-12(3,4)11-6-5-9-14-11/h5-6,9-10,13H,7-8H2,1-4H3.
What are the key properties of 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79830782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).