3-(7-methyltridecan-7-ylamino)propane-1,2-diol

C17H37NO2 — CID 130426560

IUPAC3-(7-methyltridecan-7-ylamino)propane-1,2-diol
SMILESCCCCCCC(C)(CCCCCC)NCC(O)CO
InChIInChI=1S/C17H37NO2/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)18-14-16(20)15-19/h16,18-20H,4-15H2,1-3H3
InChIKeyZMTWWQQKTKGCKV-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.63
Rot. Bonds14

About 3-(7-methyltridecan-7-ylamino)propane-1,2-diol

3-(7-methyltridecan-7-ylamino)propane-1,2-diol (PubChem CID 130426560) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-(7-methyltridecan-7-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(7-methyltridecan-7-ylamino)propane-1,2-diol
PubChem CID130426560
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name3-(7-methyltridecan-7-ylamino)propane-1,2-diol
SMILESCCCCCCC(C)(CCCCCC)NCC(O)CO
InChIInChI=1S/C17H37NO2/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)18-14-16(20)15-19/h16,18-20H,4-15H2,1-3H3
InChIKeyZMTWWQQKTKGCKV-UHFFFAOYSA-N
XLogP3.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.63
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

N-ethyl-7-methyltetradecan-7-amine
CID 593697
4-hexyl-4-methylundecane-1,2-diol
CID 139372551
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride
CID 173082363
1-(tert-butylamino)octan-2-ol
CID 62774713
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
N-heptyl-5-methylnonan-5-amine
CID 126560493
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyltridecan-7-ylamino)propane-1,2-diol?
The IUPAC name of 3-(7-methyltridecan-7-ylamino)propane-1,2-diol (CID 130426560) is 3-(7-methyltridecan-7-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(7-methyltridecan-7-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(7-methyltridecan-7-ylamino)propane-1,2-diol is CCCCCCC(C)(CCCCCC)NCC(O)CO.
What is the InChIKey of 3-(7-methyltridecan-7-ylamino)propane-1,2-diol?
The InChIKey is ZMTWWQQKTKGCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)18-14-16(20)15-19/h16,18-20H,4-15H2,1-3H3.
What are the key properties of 3-(7-methyltridecan-7-ylamino)propane-1,2-diol?
3-(7-methyltridecan-7-ylamino)propane-1,2-diol has a molecular weight of 287.49 g/mol, XLogP of 3.63, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyltridecan-7-ylamino)propane-1,2-diol is sourced from PubChem (CID 130426560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).