1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol

C21H45NO5 — CID 101137569

IUPAC1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)(C)CCCCCCCCCOCCOCCOCCOCC(N)O
InChIInChI=1S/C21H45NO5/c1-21(2,3)11-9-7-5-4-6-8-10-12-24-13-14-25-15-16-26-17-18-27-19-20(22)23/h20,23H,4-19,22H2,1-3H3
InChIKeyWPISWZWBPNZYHP-UHFFFAOYSA-N
MW391.59 g/mol
LogP3.50
Rot. Bonds20

About 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol

1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 101137569) has the molecular formula C21H45NO5 and a molecular weight of 391.59 g/mol. Its IUPAC name is 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID101137569
Molecular FormulaC21H45NO5
Molecular Weight391.59 g/mol
Exact Mass391.33
IUPAC Name1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)(C)CCCCCCCCCOCCOCCOCCOCC(N)O
InChIInChI=1S/C21H45NO5/c1-21(2,3)11-9-7-5-4-6-8-10-12-24-13-14-25-15-16-26-17-18-27-19-20(22)23/h20,23H,4-19,22H2,1-3H3
InChIKeyWPISWZWBPNZYHP-UHFFFAOYSA-N
XLogP3.50
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-butoxy-5,5-dimethylhexane
CID 134574772
1-ethoxy-6,6-dimethylheptane
CID 58021102
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-(3,7-dimethyloctoxy)-10,10-dimethylundecane
CID 139372229
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
1-(4,4-dimethylpentoxy)-4-methoxybutan-2-ol
CID 161370706
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 101137569) is 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol is CC(C)(C)CCCCCCCCCOCCOCCOCCOCC(N)O.
What is the InChIKey of 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WPISWZWBPNZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO5/c1-21(2,3)11-9-7-5-4-6-8-10-12-24-13-14-25-15-16-26-17-18-27-19-20(22)23/h20,23H,4-19,22H2,1-3H3.
What are the key properties of 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol?
1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 391.59 g/mol, XLogP of 3.50, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 101137569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).