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

C17H38N2O2 — CID 19889997

IUPAC1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(C)CN(CCCN(CC(C)O)CC(C)O)CC(C)C
InChIInChI=1S/C17H38N2O2/c1-14(2)10-18(11-15(3)4)8-7-9-19(12-16(5)20)13-17(6)21/h14-17,20-21H,7-13H2,1-6H3
InChIKeyNXEUWSUGGUPTPK-UHFFFAOYSA-N
MW302.50 g/mol
LogP2.05
Rot. Bonds12

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

1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 19889997) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID19889997
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Name1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(C)CN(CCCN(CC(C)O)CC(C)O)CC(C)C
InChIInChI=1S/C17H38N2O2/c1-14(2)10-18(11-15(3)4)8-7-9-19(12-16(5)20)13-17(6)21/h14-17,20-21H,7-13H2,1-6H3
InChIKeyNXEUWSUGGUPTPK-UHFFFAOYSA-N
XLogP2.05
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890026
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (CID 19889997) is 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is CC(C)CN(CCCN(CC(C)O)CC(C)O)CC(C)C.
What is the InChIKey of 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is NXEUWSUGGUPTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O2/c1-14(2)10-18(11-15(3)4)8-7-9-19(12-16(5)20)13-17(6)21/h14-17,20-21H,7-13H2,1-6H3.
What are the key properties of 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 302.50 g/mol, XLogP of 2.05, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 19889997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).