N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C12H24N2O — CID 82836031

IUPACN-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NC2CCCC2)O1
InChIInChI=1S/C12H24N2O/c1-9-6-7-12(15-9)11(8-13)14-10-4-2-3-5-10/h9-12,14H,2-8,13H2,1H3
InChIKeyNACSDEOACAZCFK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.41
Rot. Bonds4

About N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82836031) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82836031
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NC2CCCC2)O1
InChIInChI=1S/C12H24N2O/c1-9-6-7-12(15-9)11(8-13)14-10-4-2-3-5-10/h9-12,14H,2-8,13H2,1H3
InChIKeyNACSDEOACAZCFK-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82836031) is N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)NC2CCCC2)O1.
What is the InChIKey of N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is NACSDEOACAZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-6-7-12(15-9)11(8-13)14-10-4-2-3-5-10/h9-12,14H,2-8,13H2,1H3.
What are the key properties of N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82836031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).