4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol

C33H72N4O6 — CID 87435036

IUPAC4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol
SMILESCC(CN(CCCCO)C(C)CN(CCCCO)C(C)CN(CCCCO)CCCCO)N(CCCCO)CCCCO
InChIInChI=1S/C33H72N4O6/c1-31(28-34(16-4-10-22-38)17-5-11-23-39)36(20-8-14-26-42)30-33(3)37(21-9-15-27-43)29-32(2)35(18-6-12-24-40)19-7-13-25-41/h31-33,38-43H,4-30H2,1-3H3
InChIKeyPRBYUOKWZMFLKB-UHFFFAOYSA-N
MW620.96 g/mol
LogP1.99
Rot. Bonds33

About 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol

4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol (PubChem CID 87435036) has the molecular formula C33H72N4O6 and a molecular weight of 620.96 g/mol. Its IUPAC name is 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol
PubChem CID87435036
Molecular FormulaC33H72N4O6
Molecular Weight620.96 g/mol
Exact Mass620.55
IUPAC Name4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol
SMILESCC(CN(CCCCO)C(C)CN(CCCCO)C(C)CN(CCCCO)CCCCO)N(CCCCO)CCCCO
InChIInChI=1S/C33H72N4O6/c1-31(28-34(16-4-10-22-38)17-5-11-23-39)36(20-8-14-26-42)30-33(3)37(21-9-15-27-43)29-32(2)35(18-6-12-24-40)19-7-13-25-41/h31-33,38-43H,4-30H2,1-3H3
InChIKeyPRBYUOKWZMFLKB-UHFFFAOYSA-N
XLogP1.99
TPSA134.34 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds33
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.96
LogP ≤ 51.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol with MolForge

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Related Compounds

4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
6-(dibutylamino)hexan-1-ol
CID 22218557
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol?
The IUPAC name of 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol (CID 87435036) is 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol.
What is the SMILES notation for 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol?
The canonical SMILES for 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol is CC(CN(CCCCO)C(C)CN(CCCCO)C(C)CN(CCCCO)CCCCO)N(CCCCO)CCCCO.
What is the InChIKey of 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol?
The InChIKey is PRBYUOKWZMFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H72N4O6/c1-31(28-34(16-4-10-22-38)17-5-11-23-39)36(20-8-14-26-42)30-33(3)37(21-9-15-27-43)29-32(2)35(18-6-12-24-40)19-7-13-25-41/h31-33,38-43H,4-30H2,1-3H3.
What are the key properties of 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol?
4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol has a molecular weight of 620.96 g/mol, XLogP of 1.99, 33 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol is sourced from PubChem (CID 87435036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).