N'-naphthalen-2-ylhexane-1,6-diamine

C16H22N2 — CID 83955962

IUPACN'-naphthalen-2-ylhexane-1,6-diamine
SMILESNCCCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C16H22N2/c17-11-5-1-2-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,18H,1-2,5-6,11-12,17H2
InChIKeyUQAHXOODMIITDL-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.77
Rot. Bonds7

About N'-naphthalen-2-ylhexane-1,6-diamine

N'-naphthalen-2-ylhexane-1,6-diamine (PubChem CID 83955962) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-naphthalen-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-naphthalen-2-ylhexane-1,6-diamine
PubChem CID83955962
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN'-naphthalen-2-ylhexane-1,6-diamine
SMILESNCCCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C16H22N2/c17-11-5-1-2-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,18H,1-2,5-6,11-12,17H2
InChIKeyUQAHXOODMIITDL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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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Related Compounds

N-hexadecylnaphthalen-2-amine
CID 12796089
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
N'-phenylheptane-1,7-diamine
CID 61149618
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
N'-(1-methylquinolin-1-ium-7-yl)butane-1,4-diamine iodide
CID 46189565
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 23385799

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-2-ylhexane-1,6-diamine?
The IUPAC name of N'-naphthalen-2-ylhexane-1,6-diamine (CID 83955962) is N'-naphthalen-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-naphthalen-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-naphthalen-2-ylhexane-1,6-diamine is NCCCCCCNc1ccc2ccccc2c1.
What is the InChIKey of N'-naphthalen-2-ylhexane-1,6-diamine?
The InChIKey is UQAHXOODMIITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-11-5-1-2-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,18H,1-2,5-6,11-12,17H2.
What are the key properties of N'-naphthalen-2-ylhexane-1,6-diamine?
N'-naphthalen-2-ylhexane-1,6-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-2-ylhexane-1,6-diamine is sourced from PubChem (CID 83955962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).