N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine

C19H38N2 — CID 67990591

IUPACN-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCC1CCCC(NCCNC2CCCCCCC2)C1C
InChIInChI=1S/C19H38N2/c1-3-17-10-9-13-19(16(17)2)21-15-14-20-18-11-7-5-4-6-8-12-18/h16-21H,3-15H2,1-2H3
InChIKeyMEPRKTDMLAPJST-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.49
Rot. Bonds6

About N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine

N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 67990591) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID67990591
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCC1CCCC(NCCNC2CCCCCCC2)C1C
InChIInChI=1S/C19H38N2/c1-3-17-10-9-13-19(16(17)2)21-15-14-20-18-11-7-5-4-6-8-12-18/h16-21H,3-15H2,1-2H3
InChIKeyMEPRKTDMLAPJST-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine (CID 67990591) is N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine is CCC1CCCC(NCCNC2CCCCCCC2)C1C.
What is the InChIKey of N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is MEPRKTDMLAPJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-17-10-9-13-19(16(17)2)21-15-14-20-18-11-7-5-4-6-8-12-18/h16-21H,3-15H2,1-2H3.
What are the key properties of N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 67990591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).