4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol

C101H214N4O4 — CID 158988297

IUPAC4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
SMILESCCCCCCCCCCCCN(CCCCO)CCCCCCCCCCCC.CCCCCCCCCCCCN(CCCO)CCCCCCCCCCCC.CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC.CCCCCCCCCN(CCO)CCCCCCCCC
InChIInChI=1S/C28H59NO.C27H57NO.C26H55NO.C20H43NO/c1-3-5-7-9-11-13-15-17-19-21-25-29(27-23-24-28-30)26-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-24-28(26-23-27-29)25-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-27(25-26-28)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-21(19-20-22)18-16-14-12-10-8-6-4-2/h30H,3-28H2,1-2H3;29H,3-27H2,1-2H3;28H,3-26H2,1-2H3;22H,3-20H2,1-2H3
InChIKeyJPVQVJRFLOZIEM-UHFFFAOYSA-N
MW1548.85 g/mol
LogP31.32
Rot. Bonds93

About 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol

4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol (PubChem CID 158988297) has the molecular formula C101H214N4O4 and a molecular weight of 1548.85 g/mol. Its IUPAC name is 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol.

Molecular Properties

Compound Name4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
PubChem CID158988297
Molecular FormulaC101H214N4O4
Molecular Weight1548.85 g/mol
Exact Mass1547.67
IUPAC Name4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
SMILESCCCCCCCCCCCCN(CCCCO)CCCCCCCCCCCC.CCCCCCCCCCCCN(CCCO)CCCCCCCCCCCC.CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC.CCCCCCCCCN(CCO)CCCCCCCCC
InChIInChI=1S/C28H59NO.C27H57NO.C26H55NO.C20H43NO/c1-3-5-7-9-11-13-15-17-19-21-25-29(27-23-24-28-30)26-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-24-28(26-23-27-29)25-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-27(25-26-28)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-21(19-20-22)18-16-14-12-10-8-6-4-2/h30H,3-28H2,1-2H3;29H,3-27H2,1-2H3;28H,3-26H2,1-2H3;22H,3-20H2,1-2H3
InChIKeyJPVQVJRFLOZIEM-UHFFFAOYSA-N
XLogP31.32
TPSA93.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds93
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001548.85
LogP ≤ 531.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol with MolForge

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Related Compounds

3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
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
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688

Frequently Asked Questions

What is the IUPAC name of 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol?
The IUPAC name of 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol (CID 158988297) is 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol.
What is the SMILES notation for 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol?
The canonical SMILES for 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol is CCCCCCCCCCCCN(CCCCO)CCCCCCCCCCCC.CCCCCCCCCCCCN(CCCO)CCCCCCCCCCCC.CCCCCCCCCCCCN(CCO)CCCCCCCCCCCC.CCCCCCCCCN(CCO)CCCCCCCCC.
What is the InChIKey of 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol?
The InChIKey is JPVQVJRFLOZIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO.C27H57NO.C26H55NO.C20H43NO/c1-3-5-7-9-11-13-15-17-19-21-25-29(27-23-24-28-30)26-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-24-28(26-23-27-29)25-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-27(25-26-28)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-21(19-20-22)18-16-14-12-10-8-6-4-2/h30H,3-28H2,1-2H3;29H,3-27H2,1-2H3;28H,3-26H2,1-2H3;22H,3-20H2,1-2H3.
What are the key properties of 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol?
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol has a molecular weight of 1548.85 g/mol, XLogP of 31.32, 93 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol is sourced from PubChem (CID 158988297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).