2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine

C14H28N2O — CID 54946309

IUPAC2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine
SMILESCOCCN(C1CC1)C1CCCCCCC1N
InChIInChI=1S/C14H28N2O/c1-17-11-10-16(12-8-9-12)14-7-5-3-2-4-6-13(14)15/h12-14H,2-11,15H2,1H3
InChIKeyFVVDHULZCBUFGZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds5

About 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine

2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine (PubChem CID 54946309) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine
PubChem CID54946309
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine
SMILESCOCCN(C1CC1)C1CCCCCCC1N
InChIInChI=1S/C14H28N2O/c1-17-11-10-16(12-8-9-12)14-7-5-3-2-4-6-13(14)15/h12-14H,2-11,15H2,1H3
InChIKeyFVVDHULZCBUFGZ-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine (CID 54946309) is 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine is COCCN(C1CC1)C1CCCCCCC1N.
What is the InChIKey of 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine?
The InChIKey is FVVDHULZCBUFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-11-10-16(12-8-9-12)14-7-5-3-2-4-6-13(14)15/h12-14H,2-11,15H2,1H3.
What are the key properties of 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine?
2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 54946309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).