N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine

C10H16N2O — CID 115206791

IUPACN-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCc1ccc(NCCNC2CC2)o1
InChIInChI=1S/C10H16N2O/c1-8-2-5-10(13-8)12-7-6-11-9-3-4-9/h2,5,9,11-12H,3-4,6-7H2,1H3
InChIKeyPNRHRVYEIKUOES-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds5

About N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine

N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine (PubChem CID 115206791) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine
PubChem CID115206791
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCc1ccc(NCCNC2CC2)o1
InChIInChI=1S/C10H16N2O/c1-8-2-5-10(13-8)12-7-6-11-9-3-4-9/h2,5,9,11-12H,3-4,6-7H2,1H3
InChIKeyPNRHRVYEIKUOES-UHFFFAOYSA-N
XLogP1.75
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
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-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine (CID 115206791) is N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine is Cc1ccc(NCCNC2CC2)o1.
What is the InChIKey of N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine?
The InChIKey is PNRHRVYEIKUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-2-5-10(13-8)12-7-6-11-9-3-4-9/h2,5,9,11-12H,3-4,6-7H2,1H3.
What are the key properties of N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115206791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).