3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol

C11H25NO2 — CID 139910076

IUPAC3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
SMILESCC(C)CCN(CCCO)CCCO
InChIInChI=1S/C11H25NO2/c1-11(2)5-8-12(6-3-9-13)7-4-10-14/h11,13-14H,3-10H2,1-2H3
InChIKeyBNTXTXVDVLVWKK-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.10
Rot. Bonds9

About 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol

3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol (PubChem CID 139910076) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
PubChem CID139910076
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
SMILESCC(C)CCN(CCCO)CCCO
InChIInChI=1S/C11H25NO2/c1-11(2)5-8-12(6-3-9-13)7-4-10-14/h11,13-14H,3-10H2,1-2H3
InChIKeyBNTXTXVDVLVWKK-UHFFFAOYSA-N
XLogP1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 11510944
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
6-[bis(3-methylbutyl)amino]hexan-3-ol
CID 107870897
6-hydroxyhexyl 3-[4-hydroxybutyl(3-methylbutyl)amino]propanoate
CID 138538334
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 3062538
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
3-[bis(3-hydroxypropyl)amino]propan-1-ol;boric acid
CID 87147461

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol?
The IUPAC name of 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol (CID 139910076) is 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol?
The canonical SMILES for 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol is CC(C)CCN(CCCO)CCCO.
What is the InChIKey of 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol?
The InChIKey is BNTXTXVDVLVWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-11(2)5-8-12(6-3-9-13)7-4-10-14/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol?
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol is sourced from PubChem (CID 139910076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).