N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine

C16H27NO — CID 83175112

IUPACN-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)C1CCCC(C)C1
InChIInChI=1S/C16H27NO/c1-3-9-17-16(12-15-8-5-10-18-15)14-7-4-6-13(2)11-14/h5,8,10,13-14,16-17H,3-4,6-7,9,11-12H2,1-2H3
InChIKeyFBCZTENZSSMILT-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.02
Rot. Bonds6

About N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 83175112) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID83175112
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)C1CCCC(C)C1
InChIInChI=1S/C16H27NO/c1-3-9-17-16(12-15-8-5-10-18-15)14-7-4-6-13(2)11-14/h5,8,10,13-14,16-17H,3-4,6-7,9,11-12H2,1-2H3
InChIKeyFBCZTENZSSMILT-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-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

Related Compounds

N-ethyl-1-(3-ethylcyclohexyl)-2-(furan-2-yl)ethanamine
CID 83176158
N-[1-(1,1-dioxothiolan-3-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83182675
1-cyclohexyl-3-(furan-2-yl)-1-methoxy-N-propylpropan-2-amine
CID 116771852
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
N-[1-(3-methylcyclopentyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412770
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854
3-(furan-2-yl)-1-(3-methylcyclohexyl)propan-1-ol
CID 105104266
N-ethyl-2-(furan-2-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107190614
tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092658
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83174956
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine (CID 83175112) is N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)C1CCCC(C)C1.
What is the InChIKey of N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is FBCZTENZSSMILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-9-17-16(12-15-8-5-10-18-15)14-7-4-6-13(2)11-14/h5,8,10,13-14,16-17H,3-4,6-7,9,11-12H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 83175112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).