N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine

C15H25NO — CID 64731661

IUPACN-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)CC(C)C1)c1ccco1
InChIInChI=1S/C15H25NO/c1-4-14(15-6-5-7-17-15)16-13-9-11(2)8-12(3)10-13/h5-7,11-14,16H,4,8-10H2,1-3H3
InChIKeyMLDHTTRQLYTKQZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.14
Rot. Bonds4

About N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine

N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64731661) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64731661
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)CC(C)C1)c1ccco1
InChIInChI=1S/C15H25NO/c1-4-14(15-6-5-7-17-15)16-13-9-11(2)8-12(3)10-13/h5-7,11-14,16H,4,8-10H2,1-3H3
InChIKeyMLDHTTRQLYTKQZ-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)propyl]adamantan-2-amine
CID 63443191
N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64732839
[(3,5-dimethylcyclohexyl)-(furan-2-yl)methyl]hydrazine
CID 105213645
2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
CID 75509295
N-(1-cyclopropylethyl)-1-(furan-2-yl)propan-1-amine
CID 62632332
N-(1-cyclohexylethyl)-1-(furan-2-yl)propan-1-amine
CID 62631853
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
N-[1-(furan-2-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62632367
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 112583178
N-(cyclohexylmethyl)-1-(furan-2-yl)propan-1-amine
CID 62633963
1-(furan-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propan-1-amine
CID 62633818

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine (CID 64731661) is N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine is CCC(NC1CC(C)CC(C)C1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is MLDHTTRQLYTKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-14(15-6-5-7-17-15)16-13-9-11(2)8-12(3)10-13/h5-7,11-14,16H,4,8-10H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine?
N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64731661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).