5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol

C16H28N2O2 — CID 165350008

IUPAC5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
SMILESOCCCCCNc1ccccc1NCCCCCO
InChIInChI=1S/C16H28N2O2/c19-13-7-1-5-11-17-15-9-3-4-10-16(15)18-12-6-2-8-14-20/h3-4,9-10,17-20H,1-2,5-8,11-14H2
InChIKeyMWQTZVYMZRGOMR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.84
Rot. Bonds12

About 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol

5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol (PubChem CID 165350008) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
PubChem CID165350008
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
SMILESOCCCCCNc1ccccc1NCCCCCO
InChIInChI=1S/C16H28N2O2/c19-13-7-1-5-11-17-15-9-3-4-10-16(15)18-12-6-2-8-14-20/h3-4,9-10,17-20H,1-2,5-8,11-14H2
InChIKeyMWQTZVYMZRGOMR-UHFFFAOYSA-N
XLogP2.84
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoroanilino)pentan-1-ol
CID 62227332
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
10-anilinodecan-1-ol
CID 10955954
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
5-[2-(methoxymethyl)anilino]pentan-1-ol
CID 62229017
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
5-(2-pyrazol-1-ylanilino)pentan-1-ol
CID 111770347
3-(2-methylanilino)propan-1-ol
CID 18005925
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
4-(2-butoxyanilino)butan-1-ol
CID 54803446
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol?
The IUPAC name of 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol (CID 165350008) is 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol.
What is the SMILES notation for 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol?
The canonical SMILES for 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol is OCCCCCNc1ccccc1NCCCCCO.
What is the InChIKey of 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol?
The InChIKey is MWQTZVYMZRGOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-13-7-1-5-11-17-15-9-3-4-10-16(15)18-12-6-2-8-14-20/h3-4,9-10,17-20H,1-2,5-8,11-14H2.
What are the key properties of 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol?
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 2.84, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol is sourced from PubChem (CID 165350008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).