1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

C15H28N2O — CID 55001862

IUPAC1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1ccc(C)o1
InChIInChI=1S/C15H28N2O/c1-5-6-7-10-17(12(2)3)14(11-16)15-9-8-13(4)18-15/h8-9,12,14H,5-7,10-11,16H2,1-4H3
InChIKeyCMMIOMZCJRGCND-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.49
Rot. Bonds8

About 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 55001862) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
PubChem CID55001862
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1ccc(C)o1
InChIInChI=1S/C15H28N2O/c1-5-6-7-10-17(12(2)3)14(11-16)15-9-8-13(4)18-15/h8-9,12,14H,5-7,10-11,16H2,1-4H3
InChIKeyCMMIOMZCJRGCND-UHFFFAOYSA-N
XLogP3.49
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (CID 55001862) is 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is CCCCCN(C(C)C)C(CN)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is CMMIOMZCJRGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-10-17(12(2)3)14(11-16)15-9-8-13(4)18-15/h8-9,12,14H,5-7,10-11,16H2,1-4H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55001862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).