N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine

C13H25NO — CID 167027452

IUPACN-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine
SMILESCCNC(CC(C)(C)C)C1(C)C=COC1
InChIInChI=1S/C13H25NO/c1-6-14-11(9-12(2,3)4)13(5)7-8-15-10-13/h7-8,11,14H,6,9-10H2,1-5H3
InChIKeySDVBSEBXTBCJBE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.95
Rot. Bonds4

About N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine

N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine (PubChem CID 167027452) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine
PubChem CID167027452
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine
SMILESCCNC(CC(C)(C)C)C1(C)C=COC1
InChIInChI=1S/C13H25NO/c1-6-14-11(9-12(2,3)4)13(5)7-8-15-10-13/h7-8,11,14H,6,9-10H2,1-5H3
InChIKeySDVBSEBXTBCJBE-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine (CID 167027452) is N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine is CCNC(CC(C)(C)C)C1(C)C=COC1.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine?
The InChIKey is SDVBSEBXTBCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-14-11(9-12(2,3)4)13(5)7-8-15-10-13/h7-8,11,14H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine?
N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine is sourced from PubChem (CID 167027452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).