2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine

C11H19NO — CID 83138308

IUPAC2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)Cc1ccco1
InChIInChI=1S/C11H19NO/c1-11(2,3)9(8-12)7-10-5-4-6-13-10/h4-6,9H,7-8,12H2,1-3H3
InChIKeyGEKJSHNOBJYNLR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.44
Rot. Bonds3

About 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine

2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83138308) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
PubChem CID83138308
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)Cc1ccco1
InChIInChI=1S/C11H19NO/c1-11(2,3)9(8-12)7-10-5-4-6-13-10/h4-6,9H,7-8,12H2,1-3H3
InChIKeyGEKJSHNOBJYNLR-UHFFFAOYSA-N
XLogP2.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
2-(2-ethylbutyl)furan
CID 68844643
2-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]furan
CID 65016482
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine
CID 83175566
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
1-(furan-2-yl)-3-methoxy-3-methylpentan-2-amine
CID 116757355
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
1-(furan-2-yl)-N,4,5,5-tetramethylhexan-2-amine
CID 105029568
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine (CID 83138308) is 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is GEKJSHNOBJYNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)9(8-12)7-10-5-4-6-13-10/h4-6,9H,7-8,12H2,1-3H3.
What are the key properties of 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine?
2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83138308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).