(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine

C14H23NO — CID 106827005

IUPAC(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2(C)CCCCC2)c(C)o1
InChIInChI=1S/C14H23NO/c1-10-9-12(11(2)16-10)13(15)14(3)7-5-4-6-8-14/h9,13H,4-8,15H2,1-3H3
InChIKeyZWLZJDNRMVDVMU-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.87
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine

(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine (PubChem CID 106827005) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine
PubChem CID106827005
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2(C)CCCCC2)c(C)o1
InChIInChI=1S/C14H23NO/c1-10-9-12(11(2)16-10)13(15)14(3)7-5-4-6-8-14/h9,13H,4-8,15H2,1-3H3
InChIKeyZWLZJDNRMVDVMU-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 79999939
(2-methoxy-5-methylphenyl)-(1-methylcyclohexyl)methanamine
CID 106826973
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106826810
(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 106830058
(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106830353
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836949
(1-methylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 106830463
[cycloheptyl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105330649
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107177701

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine (CID 106827005) is (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine is Cc1cc(C(N)C2(C)CCCCC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine?
The InChIKey is ZWLZJDNRMVDVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-9-12(11(2)16-10)13(15)14(3)7-5-4-6-8-14/h9,13H,4-8,15H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine?
(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106827005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).