N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine

C17H29NO — CID 81321039

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCc1cc(C(C)NC2CCC(C)(C)CC2C)c(C)o1
InChIInChI=1S/C17H29NO/c1-11-10-17(5,6)8-7-16(11)18-13(3)15-9-12(2)19-14(15)4/h9,11,13,16,18H,7-8,10H2,1-6H3
InChIKeyBFGNACRKWQNJIV-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.76
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81321039) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81321039
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCc1cc(C(C)NC2CCC(C)(C)CC2C)c(C)o1
InChIInChI=1S/C17H29NO/c1-11-10-17(5,6)8-7-16(11)18-13(3)15-9-12(2)19-14(15)4/h9,11,13,16,18H,7-8,10H2,1-6H3
InChIKeyBFGNACRKWQNJIV-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine (CID 81321039) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine is Cc1cc(C(C)NC2CCC(C)(C)CC2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is BFGNACRKWQNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11-10-17(5,6)8-7-16(11)18-13(3)15-9-12(2)19-14(15)4/h9,11,13,16,18H,7-8,10H2,1-6H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.76, 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]-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81321039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).