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

C14H28N2O — CID 62072277

IUPAC1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-2-16(11-13-8-5-9-17-13)14(10-15)12-6-3-4-7-12/h12-14H,2-11,15H2,1H3
InChIKeyRYLKDIUFHMBSLC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds6

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

1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62072277) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62072277
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-2-16(11-13-8-5-9-17-13)14(10-15)12-6-3-4-7-12/h12-14H,2-11,15H2,1H3
InChIKeyRYLKDIUFHMBSLC-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62072277) is 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CC1CCCO1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is RYLKDIUFHMBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-16(11-13-8-5-9-17-13)14(10-15)12-6-3-4-7-12/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62072277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).