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

C27H30N2 — CID 10156761

IUPACN,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine
SMILESc1ccc2c(CNCCCCCNCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C27H30N2/c1(6-18-28-20-24-14-8-12-22-10-2-4-16-26(22)24)7-19-29-21-25-15-9-13-23-11-3-5-17-27(23)25/h2-5,8-17,28-29H,1,6-7,18-21H2
InChIKeyQABUYWJSFHIXMD-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.04
Rot. Bonds10

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

N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine (PubChem CID 10156761) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine
PubChem CID10156761
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC NameN,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine
SMILESc1ccc2c(CNCCCCCNCc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C27H30N2/c1(6-18-28-20-24-14-8-12-22-10-2-4-16-26(22)24)7-19-29-21-25-15-9-13-23-11-3-5-17-27(23)25/h2-5,8-17,28-29H,1,6-7,18-21H2
InChIKeyQABUYWJSFHIXMD-UHFFFAOYSA-N
XLogP6.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.04
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,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine (CID 10156761) is N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine is c1ccc2c(CNCCCCCNCc3cccc4ccccc34)cccc2c1.
What is the InChIKey of N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine?
The InChIKey is QABUYWJSFHIXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1(6-18-28-20-24-14-8-12-22-10-2-4-16-26(22)24)7-19-29-21-25-15-9-13-23-11-3-5-17-27(23)25/h2-5,8-17,28-29H,1,6-7,18-21H2.
What are the key properties of N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine?
N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine has a molecular weight of 382.55 g/mol, XLogP of 6.04, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 10156761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).