3-[3-(dimethylamino)propylamino]dodecan-1-ol

C17H38N2O — CID 169107448

IUPAC3-[3-(dimethylamino)propylamino]dodecan-1-ol
SMILESCCCCCCCCCC(CCO)NCCCN(C)C
InChIInChI=1S/C17H38N2O/c1-4-5-6-7-8-9-10-12-17(13-16-20)18-14-11-15-19(2)3/h17-18,20H,4-16H2,1-3H3
InChIKeyGYKMIYXLHQJCRF-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.42
Rot. Bonds15

About 3-[3-(dimethylamino)propylamino]dodecan-1-ol

3-[3-(dimethylamino)propylamino]dodecan-1-ol (PubChem CID 169107448) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]dodecan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]dodecan-1-ol
PubChem CID169107448
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name3-[3-(dimethylamino)propylamino]dodecan-1-ol
SMILESCCCCCCCCCC(CCO)NCCCN(C)C
InChIInChI=1S/C17H38N2O/c1-4-5-6-7-8-9-10-12-17(13-16-20)18-14-11-15-19(2)3/h17-18,20H,4-16H2,1-3H3
InChIKeyGYKMIYXLHQJCRF-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)dodecan-1-ol
CID 114078400
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
2-hexyldecyl 8-[3-(dimethylamino)propylamino]octadecanoate
CID 169107599
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
2-butyloctyl 10-[3-(dimethylamino)propylamino]nonadecanoate
CID 171658653
2-hexyldecyl 3-[3-(dimethylamino)propylamino]dodecanoate
CID 169107676
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]dodecan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)propylamino]dodecan-1-ol (CID 169107448) is 3-[3-(dimethylamino)propylamino]dodecan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]dodecan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]dodecan-1-ol is CCCCCCCCCC(CCO)NCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]dodecan-1-ol?
The InChIKey is GYKMIYXLHQJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-4-5-6-7-8-9-10-12-17(13-16-20)18-14-11-15-19(2)3/h17-18,20H,4-16H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propylamino]dodecan-1-ol?
3-[3-(dimethylamino)propylamino]dodecan-1-ol has a molecular weight of 286.50 g/mol, XLogP of 3.42, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]dodecan-1-ol is sourced from PubChem (CID 169107448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).