1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine

C9H17NO — CID 130579422

IUPAC1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1=COCC1
InChIInChI=1S/C9H17NO/c1-7(2)5-9(10)8-3-4-11-6-8/h6-7,9H,3-5,10H2,1-2H3
InChIKeyQNWOFCVBTLEYHA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.66
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine

1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine (PubChem CID 130579422) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine
PubChem CID130579422
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1=COCC1
InChIInChI=1S/C9H17NO/c1-7(2)5-9(10)8-3-4-11-6-8/h6-7,9H,3-5,10H2,1-2H3
InChIKeyQNWOFCVBTLEYHA-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-amine
CID 130579424
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-amine
CID 102651213
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105033152
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 105179419
(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine
CID 130597665
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
(1S)-3-methyl-1-(2,3,4,5,6-pentamethylphenyl)butan-1-amine
CID 28525663
2,3-dihydrofuran-4-yl-(3-methoxyoxolan-3-yl)methanamine
CID 131081537
(1S)-1-(5-bromofuran-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171219563

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine (CID 130579422) is 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine is CC(C)CC(N)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine?
The InChIKey is QNWOFCVBTLEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-9(10)8-3-4-11-6-8/h6-7,9H,3-5,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine?
1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 130579422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).