N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine

C16H27NO — CID 79836949

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCc1cc(C(C)NC2CCCCC2(C)C)c(C)o1
InChIInChI=1S/C16H27NO/c1-11-10-14(13(3)18-11)12(2)17-15-8-6-7-9-16(15,4)5/h10,12,15,17H,6-9H2,1-5H3
InChIKeyISCLIHZFAYVLBD-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.52
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836949) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79836949
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCc1cc(C(C)NC2CCCCC2(C)C)c(C)o1
InChIInChI=1S/C16H27NO/c1-11-10-14(13(3)18-11)12(2)17-15-8-6-7-9-16(15,4)5/h10,12,15,17H,6-9H2,1-5H3
InChIKeyISCLIHZFAYVLBD-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 79836949) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine is Cc1cc(C(C)NC2CCCCC2(C)C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is ISCLIHZFAYVLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-10-14(13(3)18-11)12(2)17-15-8-6-7-9-16(15,4)5/h10,12,15,17H,6-9H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).