6-[N-(3-aminopropyl)anilino]hexan-1-ol

C15H26N2O — CID 107702923

IUPAC6-[N-(3-aminopropyl)anilino]hexan-1-ol
SMILESNCCCN(CCCCCCO)c1ccccc1
InChIInChI=1S/C15H26N2O/c16-11-8-13-17(12-6-1-2-7-14-18)15-9-4-3-5-10-15/h3-5,9-10,18H,1-2,6-8,11-14,16H2
InChIKeySOXFNBHSYIEBEW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.39
Rot. Bonds10

About 6-[N-(3-aminopropyl)anilino]hexan-1-ol

6-[N-(3-aminopropyl)anilino]hexan-1-ol (PubChem CID 107702923) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-[N-(3-aminopropyl)anilino]hexan-1-ol.

Molecular Properties

Compound Name6-[N-(3-aminopropyl)anilino]hexan-1-ol
PubChem CID107702923
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name6-[N-(3-aminopropyl)anilino]hexan-1-ol
SMILESNCCCN(CCCCCCO)c1ccccc1
InChIInChI=1S/C15H26N2O/c16-11-8-13-17(12-6-1-2-7-14-18)15-9-4-3-5-10-15/h3-5,9-10,18H,1-2,6-8,11-14,16H2
InChIKeySOXFNBHSYIEBEW-UHFFFAOYSA-N
XLogP2.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
5-(N-aminoanilino)pentan-1-ol
CID 22487379
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
3-(N-propylanilino)propan-1-ol
CID 101291000
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
CID 67533016
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of 6-[N-(3-aminopropyl)anilino]hexan-1-ol?
The IUPAC name of 6-[N-(3-aminopropyl)anilino]hexan-1-ol (CID 107702923) is 6-[N-(3-aminopropyl)anilino]hexan-1-ol.
What is the SMILES notation for 6-[N-(3-aminopropyl)anilino]hexan-1-ol?
The canonical SMILES for 6-[N-(3-aminopropyl)anilino]hexan-1-ol is NCCCN(CCCCCCO)c1ccccc1.
What is the InChIKey of 6-[N-(3-aminopropyl)anilino]hexan-1-ol?
The InChIKey is SOXFNBHSYIEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c16-11-8-13-17(12-6-1-2-7-14-18)15-9-4-3-5-10-15/h3-5,9-10,18H,1-2,6-8,11-14,16H2.
What are the key properties of 6-[N-(3-aminopropyl)anilino]hexan-1-ol?
6-[N-(3-aminopropyl)anilino]hexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-(3-aminopropyl)anilino]hexan-1-ol is sourced from PubChem (CID 107702923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).