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

C14H26N2O — CID 55000956

IUPAC1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC(C)C)C(C)C)o1
InChIInChI=1S/C14H26N2O/c1-10(2)9-16(11(3)4)13(8-15)14-7-6-12(5)17-14/h6-7,10-11,13H,8-9,15H2,1-5H3
InChIKeyYCLHCUGXFRINCZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.95
Rot. Bonds6

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

1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 55000956) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID55000956
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC(C)C)C(C)C)o1
InChIInChI=1S/C14H26N2O/c1-10(2)9-16(11(3)4)13(8-15)14-7-6-12(5)17-14/h6-7,10-11,13H,8-9,15H2,1-5H3
InChIKeyYCLHCUGXFRINCZ-UHFFFAOYSA-N
XLogP2.95
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.95
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-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine (CID 55000956) is 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine is Cc1ccc(C(CN)N(CC(C)C)C(C)C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is YCLHCUGXFRINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)9-16(11(3)4)13(8-15)14-7-6-12(5)17-14/h6-7,10-11,13H,8-9,15H2,1-5H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine?
1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.95, 6 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-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55000956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).