[2-(2-methylpropyl)furan-3-yl]methanamine

C9H15NO — CID 82416814

IUPAC[2-(2-methylpropyl)furan-3-yl]methanamine
SMILESCC(C)Cc1occc1CN
InChIInChI=1S/C9H15NO/c1-7(2)5-9-8(6-10)3-4-11-9/h3-4,7H,5-6,10H2,1-2H3
InChIKeyBMGHAXPIPDBYCN-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.94
Rot. Bonds3

About [2-(2-methylpropyl)furan-3-yl]methanamine

[2-(2-methylpropyl)furan-3-yl]methanamine (PubChem CID 82416814) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is [2-(2-methylpropyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)furan-3-yl]methanamine
PubChem CID82416814
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name[2-(2-methylpropyl)furan-3-yl]methanamine
SMILESCC(C)Cc1occc1CN
InChIInChI=1S/C9H15NO/c1-7(2)5-9-8(6-10)3-4-11-9/h3-4,7H,5-6,10H2,1-2H3
InChIKeyBMGHAXPIPDBYCN-UHFFFAOYSA-N
XLogP1.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)furan-3-yl]methanamine?
The IUPAC name of [2-(2-methylpropyl)furan-3-yl]methanamine (CID 82416814) is [2-(2-methylpropyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)furan-3-yl]methanamine is CC(C)Cc1occc1CN.
What is the InChIKey of [2-(2-methylpropyl)furan-3-yl]methanamine?
The InChIKey is BMGHAXPIPDBYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)5-9-8(6-10)3-4-11-9/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)furan-3-yl]methanamine?
[2-(2-methylpropyl)furan-3-yl]methanamine has a molecular weight of 153.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)furan-3-yl]methanamine is sourced from PubChem (CID 82416814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).