N'-(4-propan-2-ylphenyl)hexane-1,6-diamine

C15H26N2 — CID 83952205

IUPACN'-(4-propan-2-ylphenyl)hexane-1,6-diamine
SMILESCC(C)c1ccc(NCCCCCCN)cc1
InChIInChI=1S/C15H26N2/c1-13(2)14-7-9-15(10-8-14)17-12-6-4-3-5-11-16/h7-10,13,17H,3-6,11-12,16H2,1-2H3
InChIKeyXBVOXHFCDZVMGZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.74
Rot. Bonds8

About N'-(4-propan-2-ylphenyl)hexane-1,6-diamine

N'-(4-propan-2-ylphenyl)hexane-1,6-diamine (PubChem CID 83952205) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-(4-propan-2-ylphenyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(4-propan-2-ylphenyl)hexane-1,6-diamine
PubChem CID83952205
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-(4-propan-2-ylphenyl)hexane-1,6-diamine
SMILESCC(C)c1ccc(NCCCCCCN)cc1
InChIInChI=1S/C15H26N2/c1-13(2)14-7-9-15(10-8-14)17-12-6-4-3-5-11-16/h7-10,13,17H,3-6,11-12,16H2,1-2H3
InChIKeyXBVOXHFCDZVMGZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.74
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

4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
N'-phenylheptane-1,7-diamine
CID 61149618
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
1-[3-(6-aminohexylamino)phenyl]ethanol
CID 83962976
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
CID 54952609

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-ylphenyl)hexane-1,6-diamine?
The IUPAC name of N'-(4-propan-2-ylphenyl)hexane-1,6-diamine (CID 83952205) is N'-(4-propan-2-ylphenyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(4-propan-2-ylphenyl)hexane-1,6-diamine?
The canonical SMILES for N'-(4-propan-2-ylphenyl)hexane-1,6-diamine is CC(C)c1ccc(NCCCCCCN)cc1.
What is the InChIKey of N'-(4-propan-2-ylphenyl)hexane-1,6-diamine?
The InChIKey is XBVOXHFCDZVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)14-7-9-15(10-8-14)17-12-6-4-3-5-11-16/h7-10,13,17H,3-6,11-12,16H2,1-2H3.
What are the key properties of N'-(4-propan-2-ylphenyl)hexane-1,6-diamine?
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylphenyl)hexane-1,6-diamine is sourced from PubChem (CID 83952205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).