N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine

C15H20N2 — CID 115195493

IUPACN'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
SMILESCc1ccc2cc(CCNCCN)ccc2c1
InChIInChI=1S/C15H20N2/c1-12-2-4-15-11-13(3-5-14(15)10-12)6-8-17-9-7-16/h2-5,10-11,17H,6-9,16H2,1H3
InChIKeyFYBWEZZSACCQFX-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.24
Rot. Bonds5

About N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine

N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 115195493) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
PubChem CID115195493
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
SMILESCc1ccc2cc(CCNCCN)ccc2c1
InChIInChI=1S/C15H20N2/c1-12-2-4-15-11-13(3-5-14(15)10-12)6-8-17-9-7-16/h2-5,10-11,17H,6-9,16H2,1H3
InChIKeyFYBWEZZSACCQFX-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.24
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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Related Compounds

4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
2-[2-(6-methylnaphthalen-2-yl)ethylamino]acetamide
CID 115260174
1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
CID 115121687
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
4-(6-methylnaphthalen-2-yl)butanehydrazide
CID 116843668
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
2-methyl-7-propylnaphthalene
CID 59912073

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine (CID 115195493) is N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine is Cc1ccc2cc(CCNCCN)ccc2c1.
What is the InChIKey of N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is FYBWEZZSACCQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-2-4-15-11-13(3-5-14(15)10-12)6-8-17-9-7-16/h2-5,10-11,17H,6-9,16H2,1H3.
What are the key properties of N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine?
N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).