3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine

C24H24N2 — CID 57250877

IUPAC3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
SMILESNCC(Cc1cccc2ccccc12)NCc1cccc2ccccc12
InChIInChI=1S/C24H24N2/c25-16-22(15-20-11-5-9-18-7-1-3-13-23(18)20)26-17-21-12-6-10-19-8-2-4-14-24(19)21/h1-14,22,26H,15-17,25H2
InChIKeyWXSJCJMVROCEGJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.65
Rot. Bonds6

About 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine

3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine (PubChem CID 57250877) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
PubChem CID57250877
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
SMILESNCC(Cc1cccc2ccccc12)NCc1cccc2ccccc12
InChIInChI=1S/C24H24N2/c25-16-22(15-20-11-5-9-18-7-1-3-13-23(18)20)26-17-21-12-6-10-19-8-2-4-14-24(19)21/h1-14,22,26H,15-17,25H2
InChIKeyWXSJCJMVROCEGJ-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine
CID 57137321
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine
CID 159924619
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine
CID 90858078
naphthalen-1-ylmethylhydrazine;hydrochloride
CID 71656108
(5-methyl-1-naphthalen-1-ylhexan-2-yl)hydrazine
CID 105207634

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine (CID 57250877) is 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine is NCC(Cc1cccc2ccccc12)NCc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
The InChIKey is WXSJCJMVROCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c25-16-22(15-20-11-5-9-18-7-1-3-13-23(18)20)26-17-21-12-6-10-19-8-2-4-14-24(19)21/h1-14,22,26H,15-17,25H2.
What are the key properties of 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine has a molecular weight of 340.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 57250877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).