2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol

C16H28N2O2 — CID 102631497

IUPAC2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1ccc(C)o1)N(C)C1CCCCC1O
InChIInChI=1S/C16H28N2O2/c1-4-12(17)16(15-10-9-11(2)20-15)18(3)13-7-5-6-8-14(13)19/h9-10,12-14,16,19H,4-8,17H2,1-3H3
InChIKeyZOOGRJOLINVBFH-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.60
Rot. Bonds5

About 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol

2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol (PubChem CID 102631497) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
PubChem CID102631497
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1ccc(C)o1)N(C)C1CCCCC1O
InChIInChI=1S/C16H28N2O2/c1-4-12(17)16(15-10-9-11(2)20-15)18(3)13-7-5-6-8-14(13)19/h9-10,12-14,16,19H,4-8,17H2,1-3H3
InChIKeyZOOGRJOLINVBFH-UHFFFAOYSA-N
XLogP2.60
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol (CID 102631497) is 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol is CCC(N)C(c1ccc(C)o1)N(C)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol?
The InChIKey is ZOOGRJOLINVBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-12(17)16(15-10-9-11(2)20-15)18(3)13-7-5-6-8-14(13)19/h9-10,12-14,16,19H,4-8,17H2,1-3H3.
What are the key properties of 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).