12-(12-hydroxydodecylamino)dodecan-1-ol

C24H51NO2 — CID 18618691

IUPAC12-(12-hydroxydodecylamino)dodecan-1-ol
SMILESOCCCCCCCCCCCCNCCCCCCCCCCCCO
InChIInChI=1S/C24H51NO2/c26-23-19-15-11-7-3-1-5-9-13-17-21-25-22-18-14-10-6-2-4-8-12-16-20-24-27/h25-27H,1-24H2
InChIKeyXTVCPVQACKFBDZ-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.36
Rot. Bonds24

About 12-(12-hydroxydodecylamino)dodecan-1-ol

12-(12-hydroxydodecylamino)dodecan-1-ol (PubChem CID 18618691) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 12-(12-hydroxydodecylamino)dodecan-1-ol.

Molecular Properties

Compound Name12-(12-hydroxydodecylamino)dodecan-1-ol
PubChem CID18618691
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name12-(12-hydroxydodecylamino)dodecan-1-ol
SMILESOCCCCCCCCCCCCNCCCCCCCCCCCCO
InChIInChI=1S/C24H51NO2/c26-23-19-15-11-7-3-1-5-9-13-17-21-25-22-18-14-10-6-2-4-8-12-16-20-24-27/h25-27H,1-24H2
InChIKeyXTVCPVQACKFBDZ-UHFFFAOYSA-N
XLogP6.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
8-(undecylamino)octan-1-ol
CID 139305047
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
4-(3-aminopropylamino)butan-1-ol
CID 10725491
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
3-(5-hydroxypentylamino)propanamide
CID 62227149
7-(prop-2-enylamino)heptan-1-ol
CID 87378145
5-(prop-2-enylamino)pentan-1-ol
CID 62228256

Frequently Asked Questions

What is the IUPAC name of 12-(12-hydroxydodecylamino)dodecan-1-ol?
The IUPAC name of 12-(12-hydroxydodecylamino)dodecan-1-ol (CID 18618691) is 12-(12-hydroxydodecylamino)dodecan-1-ol.
What is the SMILES notation for 12-(12-hydroxydodecylamino)dodecan-1-ol?
The canonical SMILES for 12-(12-hydroxydodecylamino)dodecan-1-ol is OCCCCCCCCCCCCNCCCCCCCCCCCCO.
What is the InChIKey of 12-(12-hydroxydodecylamino)dodecan-1-ol?
The InChIKey is XTVCPVQACKFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c26-23-19-15-11-7-3-1-5-9-13-17-21-25-22-18-14-10-6-2-4-8-12-16-20-24-27/h25-27H,1-24H2.
What are the key properties of 12-(12-hydroxydodecylamino)dodecan-1-ol?
12-(12-hydroxydodecylamino)dodecan-1-ol has a molecular weight of 385.68 g/mol, XLogP of 6.36, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(12-hydroxydodecylamino)dodecan-1-ol is sourced from PubChem (CID 18618691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).