5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol

C15H26N2O2 — CID 62227300

IUPAC5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
SMILESCOc1ccc(N(CCCN)CCCCCO)cc1
InChIInChI=1S/C15H26N2O2/c1-19-15-8-6-14(7-9-15)17(12-5-10-16)11-3-2-4-13-18/h6-9,18H,2-5,10-13,16H2,1H3
InChIKeySDWCEJJGBFFRJN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.01
Rot. Bonds10

About 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol

5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol (PubChem CID 62227300) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
PubChem CID62227300
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
SMILESCOc1ccc(N(CCCN)CCCCCO)cc1
InChIInChI=1S/C15H26N2O2/c1-19-15-8-6-14(7-9-15)17(12-5-10-16)11-3-2-4-13-18/h6-9,18H,2-5,10-13,16H2,1H3
InChIKeySDWCEJJGBFFRJN-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
CID 43319129
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
CID 67533016
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191

Frequently Asked Questions

What is the IUPAC name of 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol?
The IUPAC name of 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol (CID 62227300) is 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol.
What is the SMILES notation for 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol?
The canonical SMILES for 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol is COc1ccc(N(CCCN)CCCCCO)cc1.
What is the InChIKey of 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol?
The InChIKey is SDWCEJJGBFFRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-19-15-8-6-14(7-9-15)17(12-5-10-16)11-3-2-4-13-18/h6-9,18H,2-5,10-13,16H2,1H3.
What are the key properties of 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol?
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol is sourced from PubChem (CID 62227300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).