1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

C16H30N2O — CID 79483187

IUPAC1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1ccc(C)o1
InChIInChI=1S/C16H30N2O/c1-6-14(7-2)18(11-12(3)4)15(10-17)16-9-8-13(5)19-16/h8-9,12,14-15H,6-7,10-11,17H2,1-5H3
InChIKeyZRYFTUNHRCSYDQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.73
Rot. Bonds8

About 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79483187) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID79483187
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1ccc(C)o1
InChIInChI=1S/C16H30N2O/c1-6-14(7-2)18(11-12(3)4)15(10-17)16-9-8-13(5)19-16/h8-9,12,14-15H,6-7,10-11,17H2,1-5H3
InChIKeyZRYFTUNHRCSYDQ-UHFFFAOYSA-N
XLogP3.73
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (CID 79483187) is 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is ZRYFTUNHRCSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-14(7-2)18(11-12(3)4)15(10-17)16-9-8-13(5)19-16/h8-9,12,14-15H,6-7,10-11,17H2,1-5H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.73, 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-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79483187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).