N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine

C9H16N2O — CID 5007494

IUPACN-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccco1
InChIInChI=1S/C9H16N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyFSUKHKIOJCSGHL-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.93
Rot. Bonds5

About N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine

N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 5007494) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID5007494
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccco1
InChIInChI=1S/C9H16N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyFSUKHKIOJCSGHL-UHFFFAOYSA-N
XLogP0.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.93
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 N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine (CID 5007494) is N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FSUKHKIOJCSGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 5007494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).