1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine

C13H24N2O — CID 62421162

IUPAC1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-11(6-5-9-14-3)15(4)10-13-8-7-12(2)16-13/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyFNCNBJKRQMYROU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.41
Rot. Bonds7

About 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine

1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine (PubChem CID 62421162) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
PubChem CID62421162
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-11(6-5-9-14-3)15(4)10-13-8-7-12(2)16-13/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyFNCNBJKRQMYROU-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.41
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-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine (CID 62421162) is 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine is CNCCCC(C)N(C)Cc1ccc(C)o1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
The InChIKey is FNCNBJKRQMYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(6-5-9-14-3)15(4)10-13-8-7-12(2)16-13/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 62421162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).