1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol

C29H62N2O2 — CID 19890026

IUPAC1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCN(CC(C)O)CC(C)O
InChIInChI=1S/C29H62N2O2/c1-5-7-9-11-13-15-17-19-22-30(23-20-18-16-14-12-10-8-6-2)24-21-25-31(26-28(3)32)27-29(4)33/h28-29,32-33H,5-27H2,1-4H3
InChIKeyMGQHTYUFNOOGAG-UHFFFAOYSA-N
MW470.83 g/mol
LogP7.02
Rot. Bonds26

About 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol

1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 19890026) has the molecular formula C29H62N2O2 and a molecular weight of 470.83 g/mol. Its IUPAC name is 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID19890026
Molecular FormulaC29H62N2O2
Molecular Weight470.83 g/mol
Exact Mass470.48
IUPAC Name1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCN(CC(C)O)CC(C)O
InChIInChI=1S/C29H62N2O2/c1-5-7-9-11-13-15-17-19-22-30(23-20-18-16-14-12-10-8-6-2)24-21-25-31(26-28(3)32)27-29(4)33/h28-29,32-33H,5-27H2,1-4H3
InChIKeyMGQHTYUFNOOGAG-UHFFFAOYSA-N
XLogP7.02
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[2-hydroxypropyl(pentyl)amino]butan-2-ol
CID 23423726
11-[bis(2-hydroxypropyl)amino]-2-octylundecan-1-ol
CID 173431296
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971

Frequently Asked Questions

What is the IUPAC name of 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol (CID 19890026) is 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol is CCCCCCCCCCN(CCCCCCCCCC)CCCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is MGQHTYUFNOOGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62N2O2/c1-5-7-9-11-13-15-17-19-22-30(23-20-18-16-14-12-10-8-6-2)24-21-25-31(26-28(3)32)27-29(4)33/h28-29,32-33H,5-27H2,1-4H3.
What are the key properties of 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 470.83 g/mol, XLogP of 7.02, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 19890026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).