2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine

C15H32N2 — CID 79477922

IUPAC2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
SMILESCCC(C)CN(CC)C1CCCCCCC1N
InChIInChI=1S/C15H32N2/c1-4-13(3)12-17(5-2)15-11-9-7-6-8-10-14(15)16/h13-15H,4-12,16H2,1-3H3
InChIKeyKJQUGSHGWLHUMS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds5

About 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine

2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine (PubChem CID 79477922) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
PubChem CID79477922
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
SMILESCCC(C)CN(CC)C1CCCCCCC1N
InChIInChI=1S/C15H32N2/c1-4-13(3)12-17(5-2)15-11-9-7-6-8-10-14(15)16/h13-15H,4-12,16H2,1-3H3
InChIKeyKJQUGSHGWLHUMS-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine (CID 79477922) is 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine is CCC(C)CN(CC)C1CCCCCCC1N.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine?
The InChIKey is KJQUGSHGWLHUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-13(3)12-17(5-2)15-11-9-7-6-8-10-14(15)16/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine?
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 79477922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).