2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol

C14H31NO2 — CID 87538743

IUPAC2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol
SMILESCCCCCCCCN(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C14H31NO2/c1-6-7-8-9-10-11-12-15(13(2,3)16)14(4,5)17/h16-17H,6-12H2,1-5H3
InChIKeyYBHCEVYXYLWKBD-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.11
Rot. Bonds9

About 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol

2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol (PubChem CID 87538743) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol
PubChem CID87538743
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol
SMILESCCCCCCCCN(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C14H31NO2/c1-6-7-8-9-10-11-12-15(13(2,3)16)14(4,5)17/h16-17H,6-12H2,1-5H3
InChIKeyYBHCEVYXYLWKBD-UHFFFAOYSA-N
XLogP3.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-ditert-butylhexadecan-1-amine
CID 138920579
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
CID 173001093
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol?
The IUPAC name of 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol (CID 87538743) is 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol.
What is the SMILES notation for 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol?
The canonical SMILES for 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol is CCCCCCCCN(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol?
The InChIKey is YBHCEVYXYLWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-7-8-9-10-11-12-15(13(2,3)16)14(4,5)17/h16-17H,6-12H2,1-5H3.
What are the key properties of 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol?
2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol is sourced from PubChem (CID 87538743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).