N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine

C22H26N2 — CID 20628588

IUPACN'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H26N2/c1-23(2)14-15-24(17-19-8-4-3-5-9-19)18-20-12-13-21-10-6-7-11-22(21)16-20/h3-13,16H,14-15,17-18H2,1-2H3
InChIKeyMOXMQBPFKXNWCD-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.40
Rot. Bonds7

About N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 20628588) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine
PubChem CID20628588
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H26N2/c1-23(2)14-15-24(17-19-8-4-3-5-9-19)18-20-12-13-21-10-6-7-11-22(21)16-20/h3-13,16H,14-15,17-18H2,1-2H3
InChIKeyMOXMQBPFKXNWCD-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine (CID 20628588) is N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is MOXMQBPFKXNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-23(2)14-15-24(17-19-8-4-3-5-9-19)18-20-12-13-21-10-6-7-11-22(21)16-20/h3-13,16H,14-15,17-18H2,1-2H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 318.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 20628588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).