2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine

C14H26N2O — CID 83055029

IUPAC2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)Cc1ccoc1
InChIInChI=1S/C14H26N2O/c1-4-6-14(10-15-8-5-2)16(3)11-13-7-9-17-12-13/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3
InChIKeyKYMBZVWZYKKYQR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.88
Rot. Bonds9

About 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine

2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine (PubChem CID 83055029) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
PubChem CID83055029
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)Cc1ccoc1
InChIInChI=1S/C14H26N2O/c1-4-6-14(10-15-8-5-2)16(3)11-13-7-9-17-12-13/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3
InChIKeyKYMBZVWZYKKYQR-UHFFFAOYSA-N
XLogP2.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
The IUPAC name of 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine (CID 83055029) is 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine is CCCNCC(CCC)N(C)Cc1ccoc1.
What is the InChIKey of 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
The InChIKey is KYMBZVWZYKKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-14(10-15-8-5-2)16(3)11-13-7-9-17-12-13/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine is sourced from PubChem (CID 83055029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).