N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine

C27H31N3 — CID 11741534

IUPACN'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
SMILESc1ccc2cc(CNCCCNCCNCc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C27H31N3/c1-3-8-26-18-22(10-12-24(26)6-1)20-29-15-5-14-28-16-17-30-21-23-11-13-25-7-2-4-9-27(25)19-23/h1-4,6-13,18-19,28-30H,5,14-17,20-21H2
InChIKeyFIQZSNNPYZIHHG-UHFFFAOYSA-N
MW397.57 g/mol
LogP4.85
Rot. Bonds11

About N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine

N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine (PubChem CID 11741534) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
PubChem CID11741534
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC NameN'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
SMILESc1ccc2cc(CNCCCNCCNCc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C27H31N3/c1-3-8-26-18-22(10-12-24(26)6-1)20-29-15-5-14-28-16-17-30-21-23-11-13-25-7-2-4-9-27(25)19-23/h1-4,6-13,18-19,28-30H,5,14-17,20-21H2
InChIKeyFIQZSNNPYZIHHG-UHFFFAOYSA-N
XLogP4.85
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(naphthalen-2-ylmethyl)-N-[2-[2-[6-(naphthalen-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
CID 10461677
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 54905759
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 115632533
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
CID 67834954
N-(hydrazinylmethyl)-1-naphthalen-2-ylmethanamine
CID 115260879
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
N-(naphthalen-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351410
N-[(4-fluorophenyl)methyl]-2-naphthalen-2-ylethanamine
CID 174517762
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984

Frequently Asked Questions

What is the IUPAC name of N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine (CID 11741534) is N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine is c1ccc2cc(CNCCCNCCNCc3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine?
The InChIKey is FIQZSNNPYZIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3/c1-3-8-26-18-22(10-12-24(26)6-1)20-29-15-5-14-28-16-17-30-21-23-11-13-25-7-2-4-9-27(25)19-23/h1-4,6-13,18-19,28-30H,5,14-17,20-21H2.
What are the key properties of N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine?
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine has a molecular weight of 397.57 g/mol, XLogP of 4.85, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 11741534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).