4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine

C16H28N2O — CID 62615573

IUPAC4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)Cc2ccc(C)o2)C1
InChIInChI=1S/C16H28N2O/c1-4-13-6-8-16(17)14(9-13)10-18(3)11-15-7-5-12(2)19-15/h5,7,13-14,16H,4,6,8-11,17H2,1-3H3
InChIKeyGQCSQZVRKWEHBV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.17
Rot. Bonds5

About 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine

4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 62615573) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID62615573
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)Cc2ccc(C)o2)C1
InChIInChI=1S/C16H28N2O/c1-4-13-6-8-16(17)14(9-13)10-18(3)11-15-7-5-12(2)19-15/h5,7,13-14,16H,4,6,8-11,17H2,1-3H3
InChIKeyGQCSQZVRKWEHBV-UHFFFAOYSA-N
XLogP3.17
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221615
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62616432
4-ethyl-2-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 62616277
N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
CID 62609281
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 62615573) is 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine is CCC1CCC(N)C(CN(C)Cc2ccc(C)o2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is GQCSQZVRKWEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13-6-8-16(17)14(9-13)10-18(3)11-15-7-5-12(2)19-15/h5,7,13-14,16H,4,6,8-11,17H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62615573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).