1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

C14H30N2O — CID 62070724

IUPAC1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)C1CCCC1
InChIInChI=1S/C14H30N2O/c1-12(2)11-16(8-9-17-3)14(10-15)13-6-4-5-7-13/h12-14H,4-11,15H2,1-3H3
InChIKeyNZMBFOREWFJNBN-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds8

About 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62070724) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62070724
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)C1CCCC1
InChIInChI=1S/C14H30N2O/c1-12(2)11-16(8-9-17-3)14(10-15)13-6-4-5-7-13/h12-14H,4-11,15H2,1-3H3
InChIKeyNZMBFOREWFJNBN-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 62070724) is 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is COCCN(CC(C)C)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is NZMBFOREWFJNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)11-16(8-9-17-3)14(10-15)13-6-4-5-7-13/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62070724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).