N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine

C15H27NO — CID 107191593

IUPACN-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CCCCC1(C)C
InChIInChI=1S/C15H27NO/c1-4-16-14(13-9-7-11-17-13)12-8-5-6-10-15(12,2)3/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyBHTCRMRXRICHGQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.49
Rot. Bonds4

About N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine

N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 107191593) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
PubChem CID107191593
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CCCCC1(C)C
InChIInChI=1S/C15H27NO/c1-4-16-14(13-9-7-11-17-13)12-8-5-6-10-15(12,2)3/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyBHTCRMRXRICHGQ-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716
1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 102651868
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107188819
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107178071

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine (CID 107191593) is N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine is CCNC(C1=CCCO1)C1CCCCC1(C)C.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is BHTCRMRXRICHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-16-14(13-9-7-11-17-13)12-8-5-6-10-15(12,2)3/h9,12,14,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine?
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107191593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).