1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine

C12H23NO — CID 102653276

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)C1=CCCO1
InChIInChI=1S/C12H23NO/c1-4-10(3)9-11(13-5-2)12-7-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeySHAHFWHMIDKWKN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 102653276) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
PubChem CID102653276
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)C1=CCCO1
InChIInChI=1S/C12H23NO/c1-4-10(3)9-11(13-5-2)12-7-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeySHAHFWHMIDKWKN-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-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)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentyl]hydrazine
CID 102650409
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methoxybutan-1-amine
CID 102652185
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
CID 102651241
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102653734
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 102653265
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664
1-(2,3-dihydrofuran-5-yl)-N,2-dimethylbutan-1-amine
CID 102651545
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine (CID 102653276) is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine is CCNC(CC(C)CC)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is SHAHFWHMIDKWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(3)9-11(13-5-2)12-7-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 6 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)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 102653276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).