N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine

C16H22N2 — CID 59231415

IUPACN'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
SMILESNCCCCCNCc1ccc2ccccc2c1
InChIInChI=1S/C16H22N2/c17-10-4-1-5-11-18-13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12,18H,1,4-5,10-11,13,17H2
InChIKeyUEAUVNMFCWSQFP-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.06
Rot. Bonds7

About N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine

N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine (PubChem CID 59231415) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
PubChem CID59231415
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
SMILESNCCCCCNCc1ccc2ccccc2c1
InChIInChI=1S/C16H22N2/c17-10-4-1-5-11-18-13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12,18H,1,4-5,10-11,13,17H2
InChIKeyUEAUVNMFCWSQFP-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine (CID 59231415) is N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine is NCCCCCNCc1ccc2ccccc2c1.
What is the InChIKey of N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is UEAUVNMFCWSQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-10-4-1-5-11-18-13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12,18H,1,4-5,10-11,13,17H2.
What are the key properties of N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine?
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 59231415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).