N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine

C19H33NO — CID 63504568

IUPACN-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H33NO/c1-6-16-12-13-17(21-16)18(20-7-2)14-8-10-15(11-9-14)19(3,4)5/h12-15,18,20H,6-11H2,1-5H3
InChIKeyJPYZMDLLNWGFFN-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.35
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 63504568) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID63504568
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H33NO/c1-6-16-12-13-17(21-16)18(20-7-2)14-8-10-15(11-9-14)19(3,4)5/h12-15,18,20H,6-11H2,1-5H3
InChIKeyJPYZMDLLNWGFFN-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine with MolForge

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Related Compounds

[cyclopropyl-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105314590
N-[(5-ethylfuran-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62906032
2-cyclobutyl-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115863601
1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 63501939
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
3-cyclohexyl-N-ethyl-1-(5-ethylfuran-2-yl)propan-1-amine
CID 63505703
4-tert-butyl-1-[(5-ethylfuran-2-yl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79125490
[(4-tert-butylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105232777
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651
N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100
N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989489
N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 104994062

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 63504568) is N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)o1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is JPYZMDLLNWGFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-16-12-13-17(21-16)18(20-7-2)14-8-10-15(11-9-14)19(3,4)5/h12-15,18,20H,6-11H2,1-5H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 291.48 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 63504568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).