N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine

C13H20N2 — CID 57309416

IUPACN'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
SMILESCC1=CCC2=C(CC=CC2)C1NCCN
InChIInChI=1S/C13H20N2/c1-10-6-7-11-4-2-3-5-12(11)13(10)15-9-8-14/h2-3,6,13,15H,4-5,7-9,14H2,1H3
InChIKeyBFXNHINRHUEBCN-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.90
Rot. Bonds3

About N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine

N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine (PubChem CID 57309416) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
PubChem CID57309416
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
SMILESCC1=CCC2=C(CC=CC2)C1NCCN
InChIInChI=1S/C13H20N2/c1-10-6-7-11-4-2-3-5-12(11)13(10)15-9-8-14/h2-3,6,13,15H,4-5,7-9,14H2,1H3
InChIKeyBFXNHINRHUEBCN-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine (CID 57309416) is N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine is CC1=CCC2=C(CC=CC2)C1NCCN.
What is the InChIKey of N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
The InChIKey is BFXNHINRHUEBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-7-11-4-2-3-5-12(11)13(10)15-9-8-14/h2-3,6,13,15H,4-5,7-9,14H2,1H3.
What are the key properties of N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1,4,5,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 57309416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).