N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C15H25NO — CID 63242718

IUPACN-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC(C)CC2)o1
InChIInChI=1S/C15H25NO/c1-11-4-7-14(8-5-11)10-16-13(3)15-9-6-12(2)17-15/h6,9,11,13-14,16H,4-5,7-8,10H2,1-3H3
InChIKeyYFCMFDMAPCUKGW-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.06
Rot. Bonds4

About N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 63242718) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID63242718
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC(C)CC2)o1
InChIInChI=1S/C15H25NO/c1-11-4-7-14(8-5-11)10-16-13(3)15-9-6-12(2)17-15/h6,9,11,13-14,16H,4-5,7-8,10H2,1-3H3
InChIKeyYFCMFDMAPCUKGW-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106125036
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
N-[(4-methylcyclohexyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63462112
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 63242718) is N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCC2CCC(C)CC2)o1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is YFCMFDMAPCUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-4-7-14(8-5-11)10-16-13(3)15-9-6-12(2)17-15/h6,9,11,13-14,16H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 63242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).