N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine

C13H22N2O — CID 65380747

IUPACN-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1ccoc1
InChIInChI=1S/C13H22N2O/c14-9-13(11-7-8-16-10-11)15-12-5-3-1-2-4-6-12/h7-8,10,12-13,15H,1-6,9,14H2
InChIKeyUCGXGXRSUZBISY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.59
Rot. Bonds4

About N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine

N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 65380747) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID65380747
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1ccoc1
InChIInChI=1S/C13H22N2O/c14-9-13(11-7-8-16-10-11)15-12-5-3-1-2-4-6-12/h7-8,10,12-13,15H,1-6,9,14H2
InChIKeyUCGXGXRSUZBISY-UHFFFAOYSA-N
XLogP2.59
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine (CID 65380747) is N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine is NCC(NC1CCCCCC1)c1ccoc1.
What is the InChIKey of N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is UCGXGXRSUZBISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-9-13(11-7-8-16-10-11)15-12-5-3-1-2-4-6-12/h7-8,10,12-13,15H,1-6,9,14H2.
What are the key properties of N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine?
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 65380747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).