1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine

C16H30N2O — CID 102651868

IUPAC1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(C1=CCCO1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H30N2O/c1-4-17-15(14-10-9-13-19-14)16(18(2)3)11-7-5-6-8-12-16/h10,15,17H,4-9,11-13H2,1-3H3
InChIKeyZRHBUACNLLMYJK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.92
Rot. Bonds5

About 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine

1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 102651868) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID102651868
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(C1=CCCO1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H30N2O/c1-4-17-15(14-10-9-13-19-14)16(18(2)3)11-7-5-6-8-12-16/h10,15,17H,4-9,11-13H2,1-3H3
InChIKeyZRHBUACNLLMYJK-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-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(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651857
1-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651855
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102647750
1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-diethylcyclopentan-1-amine
CID 102651843
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
N-[2,3-dihydrofuran-5-yl-(1-phenylcyclopropyl)methyl]ethanamine
CID 102651499
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine (CID 102651868) is 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine is CCNC(C1=CCCO1)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is ZRHBUACNLLMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-17-15(14-10-9-13-19-14)16(18(2)3)11-7-5-6-8-12-16/h10,15,17H,4-9,11-13H2,1-3H3.
What are the key properties of 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 102651868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).