3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine

C13H21NO — CID 165498088

IUPAC3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)C(c2ccco2)C1
InChIInChI=1S/C13H21NO/c1-13(2)7-6-10(14-3)9-11(13)12-5-4-8-15-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyHFYPZTUUIXSEFG-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.16
Rot. Bonds2

About 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine

3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 165498088) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine
PubChem CID165498088
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)C(c2ccco2)C1
InChIInChI=1S/C13H21NO/c1-13(2)7-6-10(14-3)9-11(13)12-5-4-8-15-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyHFYPZTUUIXSEFG-UHFFFAOYSA-N
XLogP3.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3-(furan-2-yl)-N-methylcyclohexan-1-amine
CID 165491970
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
2-(furan-2-yl)-N-methylcyclopentan-1-amine
CID 63950398
2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
CID 7045891
2-(furan-2-yl)-5-azaspiro[2.3]hexane
CID 45282376
N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
CID 116539435
methyl (1S,2S,4S,5S)-2-(furan-2-yl)-4-hydroxy-8-oxobicyclo[3.2.1]octane-1-carboxylate
CID 10683010
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855711
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
CID 907246
(3R)-3-(furan-2-yl)-1,2-oxazolidine
CID 166135335
3-(furan-2-yl)-1,2-oxazolidine
CID 174175467

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine (CID 165498088) is 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)C(c2ccco2)C1.
What is the InChIKey of 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is HFYPZTUUIXSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)7-6-10(14-3)9-11(13)12-5-4-8-15-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine?
3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 165498088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).