N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine

C28H34N4 — CID 11766966

IUPACN,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESc1ccc2c(CNCCNCCNCCNCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C28H34N4/c1-3-13-27-23(7-1)9-5-11-25(27)21-31-19-17-29-15-16-30-18-20-32-22-26-12-6-10-24-8-2-4-14-28(24)26/h1-14,29-32H,15-22H2
InChIKeyPQJGGYGKCGWLAF-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.05
Rot. Bonds13

About N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine

N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 11766966) has the molecular formula C28H34N4 and a molecular weight of 426.61 g/mol. Its IUPAC name is N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
PubChem CID11766966
Molecular FormulaC28H34N4
Molecular Weight426.61 g/mol
Exact Mass426.28
IUPAC NameN,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESc1ccc2c(CNCCNCCNCCNCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C28H34N4/c1-3-13-27-23(7-1)9-5-11-25(27)21-31-19-17-29-15-16-30-18-20-32-22-26-12-6-10-24-8-2-4-14-28(24)26/h1-14,29-32H,15-22H2
InChIKeyPQJGGYGKCGWLAF-UHFFFAOYSA-N
XLogP4.05
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
CID 59694789
CID 59694789
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
3-(naphthalen-1-ylmethylamino)propanenitrile
CID 28728133
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine (CID 11766966) is N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine is c1ccc2c(CNCCNCCNCCNCc3cccc4ccccc34)cccc2c1.
What is the InChIKey of N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is PQJGGYGKCGWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4/c1-3-13-27-23(7-1)9-5-11-25(27)21-31-19-17-29-15-16-30-18-20-32-22-26-12-6-10-24-8-2-4-14-28(24)26/h1-14,29-32H,15-22H2.
What are the key properties of N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine?
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 426.61 g/mol, XLogP of 4.05, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 11766966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).