1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine

C12H23NO — CID 102653140

IUPAC1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)C1=CCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(12(2,3)4)8-10(13)11-6-5-7-14-11/h6,9-10H,5,7-8,13H2,1-4H3
InChIKeySXCNHOOUXPHKSP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.69
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine

1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine (PubChem CID 102653140) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine
PubChem CID102653140
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)C1=CCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(12(2,3)4)8-10(13)11-6-5-7-14-11/h6,9-10H,5,7-8,13H2,1-4H3
InChIKeySXCNHOOUXPHKSP-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-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

1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-amine
CID 102651213
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-amine
CID 102653078
2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylpropan-1-amine
CID 102652221
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102651201
1-(2,3-dihydrofuran-5-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 102651812
1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 102653299
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 102651808
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
CID 102653276

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine (CID 102653140) is 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine is CC(CC(N)C1=CCCO1)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is SXCNHOOUXPHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(12(2,3)4)8-10(13)11-6-5-7-14-11/h6,9-10H,5,7-8,13H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 102653140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).