N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H31NO — CID 63423900

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCc1ccc(CNC2CCC(C(C)(C)CC)CC2)o1
InChIInChI=1S/C18H31NO/c1-5-16-11-12-17(20-16)13-19-15-9-7-14(8-10-15)18(3,4)6-2/h11-12,14-15,19H,5-10,13H2,1-4H3
InChIKeyUCWQHTPMCDWZEG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.93
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63423900) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63423900
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCc1ccc(CNC2CCC(C(C)(C)CC)CC2)o1
InChIInChI=1S/C18H31NO/c1-5-16-11-12-17(20-16)13-19-15-9-7-14(8-10-15)18(3,4)6-2/h11-12,14-15,19H,5-10,13H2,1-4H3
InChIKeyUCWQHTPMCDWZEG-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
CID 66386729
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 60664775

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63423900) is N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCc1ccc(CNC2CCC(C(C)(C)CC)CC2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is UCWQHTPMCDWZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-16-11-12-17(20-16)13-19-15-9-7-14(8-10-15)18(3,4)6-2/h11-12,14-15,19H,5-10,13H2,1-4H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63423900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).