2-N'-naphthalen-1-ylpentane-2,2-diamine

C15H20N2 — CID 163553753

IUPAC2-N'-naphthalen-1-ylpentane-2,2-diamine
SMILESCCCC(C)(N)Nc1cccc2ccccc12
InChIInChI=1S/C15H20N2/c1-3-11-15(2,16)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,17H,3,11,16H2,1-2H3
InChIKeyFLHBIIQCMUVCJA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.73
Rot. Bonds4

About 2-N'-naphthalen-1-ylpentane-2,2-diamine

2-N'-naphthalen-1-ylpentane-2,2-diamine (PubChem CID 163553753) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-N'-naphthalen-1-ylpentane-2,2-diamine.

Molecular Properties

Compound Name2-N'-naphthalen-1-ylpentane-2,2-diamine
PubChem CID163553753
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-N'-naphthalen-1-ylpentane-2,2-diamine
SMILESCCCC(C)(N)Nc1cccc2ccccc12
InChIInChI=1S/C15H20N2/c1-3-11-15(2,16)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,17H,3,11,16H2,1-2H3
InChIKeyFLHBIIQCMUVCJA-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-naphthalen-1-ylpentane-2,2-diamine?
The IUPAC name of 2-N'-naphthalen-1-ylpentane-2,2-diamine (CID 163553753) is 2-N'-naphthalen-1-ylpentane-2,2-diamine.
What is the SMILES notation for 2-N'-naphthalen-1-ylpentane-2,2-diamine?
The canonical SMILES for 2-N'-naphthalen-1-ylpentane-2,2-diamine is CCCC(C)(N)Nc1cccc2ccccc12.
What is the InChIKey of 2-N'-naphthalen-1-ylpentane-2,2-diamine?
The InChIKey is FLHBIIQCMUVCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-11-15(2,16)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,17H,3,11,16H2,1-2H3.
What are the key properties of 2-N'-naphthalen-1-ylpentane-2,2-diamine?
2-N'-naphthalen-1-ylpentane-2,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-naphthalen-1-ylpentane-2,2-diamine is sourced from PubChem (CID 163553753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).