1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C12H24N2O — CID 65379447

IUPAC1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CCCO1)C1CCCC1
InChIInChI=1S/C12H24N2O/c13-8-12(10-4-1-2-5-10)14-9-11-6-3-7-15-11/h10-12,14H,1-9,13H2
InChIKeyFGINEEQFQXRMJM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.27
Rot. Bonds5

About 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65379447) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID65379447
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CCCO1)C1CCCC1
InChIInChI=1S/C12H24N2O/c13-8-12(10-4-1-2-5-10)14-9-11-6-3-7-15-11/h10-12,14H,1-9,13H2
InChIKeyFGINEEQFQXRMJM-UHFFFAOYSA-N
XLogP1.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 65379447) is 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is NCC(NCC1CCCO1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is FGINEEQFQXRMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-8-12(10-4-1-2-5-10)14-9-11-6-3-7-15-11/h10-12,14H,1-9,13H2.
What are the key properties of 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65379447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).