N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C13H22N2O — CID 62523033

IUPACN'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CNCCNC2CCCC2)o1
InChIInChI=1S/C13H22N2O/c1-11-6-7-13(16-11)10-14-8-9-15-12-4-2-3-5-12/h6-7,12,14-15H,2-5,8-10H2,1H3
InChIKeyVDGBGUBLNWEKEQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds6

About N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62523033) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID62523033
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CNCCNC2CCCC2)o1
InChIInChI=1S/C13H22N2O/c1-11-6-7-13(16-11)10-14-8-9-15-12-4-2-3-5-12/h6-7,12,14-15H,2-5,8-10H2,1H3
InChIKeyVDGBGUBLNWEKEQ-UHFFFAOYSA-N
XLogP2.21
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-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 N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 62523033) is N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CNCCNC2CCCC2)o1.
What is the InChIKey of N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is VDGBGUBLNWEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-6-7-13(16-11)10-14-8-9-15-12-4-2-3-5-12/h6-7,12,14-15H,2-5,8-10H2,1H3.
What are the key properties of N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62523033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).