N-(furan-2-ylmethyl)-2-methylpropan-2-amine

C9H15NO — CID 4722608

IUPACN-(furan-2-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccco1
InChIInChI=1S/C9H15NO/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6,10H,7H2,1-3H3
InChIKeyIJNBNJINCKLJFU-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.17
Rot. Bonds2

About N-(furan-2-ylmethyl)-2-methylpropan-2-amine

N-(furan-2-ylmethyl)-2-methylpropan-2-amine (PubChem CID 4722608) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methylpropan-2-amine
PubChem CID4722608
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(furan-2-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccco1
InChIInChI=1S/C9H15NO/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6,10H,7H2,1-3H3
InChIKeyIJNBNJINCKLJFU-UHFFFAOYSA-N
XLogP2.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methylpropan-2-amine (CID 4722608) is N-(furan-2-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is IJNBNJINCKLJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6,10H,7H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methylpropan-2-amine?
N-(furan-2-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 153.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 4722608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).