5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol

C18H39NO2 — CID 145304941

IUPAC5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol
SMILESCCCCCCN(CCCCCO)CCCCCCOC
InChIInChI=1S/C18H39NO2/c1-3-4-5-9-14-19(16-11-8-12-17-20)15-10-6-7-13-18-21-2/h20H,3-18H2,1-2H3
InChIKeyJEWCDTLDIMLETI-UHFFFAOYSA-N
MW301.51 g/mol
LogP4.24
Rot. Bonds17

About 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol

5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol (PubChem CID 145304941) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol
PubChem CID145304941
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC Name5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol
SMILESCCCCCCN(CCCCCO)CCCCCCOC
InChIInChI=1S/C18H39NO2/c1-3-4-5-9-14-19(16-11-8-12-17-20)15-10-6-7-13-18-21-2/h20H,3-18H2,1-2H3
InChIKeyJEWCDTLDIMLETI-UHFFFAOYSA-N
XLogP4.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-heptoxybutyl(6-methoxyhexyl)amino]butan-1-ol
CID 170743336
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
6-[4-hydroxybutyl(6-methoxyhexyl)amino]hexyl 2-decyltetradecanoate
CID 166805449

Frequently Asked Questions

What is the IUPAC name of 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol?
The IUPAC name of 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol (CID 145304941) is 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol?
The canonical SMILES for 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol is CCCCCCN(CCCCCO)CCCCCCOC.
What is the InChIKey of 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol?
The InChIKey is JEWCDTLDIMLETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-3-4-5-9-14-19(16-11-8-12-17-20)15-10-6-7-13-18-21-2/h20H,3-18H2,1-2H3.
What are the key properties of 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol?
5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol has a molecular weight of 301.51 g/mol, XLogP of 4.24, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol is sourced from PubChem (CID 145304941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).