1-(furan-2-yl)-2,2-dimethylpropan-1-amine

C9H15NO — CID 54593350

IUPAC1-(furan-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccco1
InChIInChI=1S/C9H15NO/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
InChIKeyNWBISWZGDOEFBC-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.33
Rot. Bonds1

About 1-(furan-2-yl)-2,2-dimethylpropan-1-amine

1-(furan-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 54593350) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID54593350
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(furan-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccco1
InChIInChI=1S/C9H15NO/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
InChIKeyNWBISWZGDOEFBC-UHFFFAOYSA-N
XLogP2.33
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-2-furanmethanamine
CID 11993871
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
Furfurylamine, alpha-benzyl-N-methyl-
CID 18548
alpha-Methyl-2-furanmethanamine
CID 90729
[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
alpha-Benzyl-N-propylfurfurylamine
CID 18549
1-(5-Methylfuran-2-yl)ethan-1-amine
CID 3964808
(3-Methylfuran-2-yl)methanamine
CID 18187367
1-(Furan-2-yl)-2-methoxyethan-1-amine
CID 16783274
1-(2-Furyl)-1-phenylmethanamine
CID 3144389

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(furan-2-yl)-2,2-dimethylpropan-1-amine (CID 54593350) is 1-(furan-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is NWBISWZGDOEFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-2,2-dimethylpropan-1-amine?
1-(furan-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 54593350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).