2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol

C14H31NO3 — CID 161298083

IUPAC2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol
SMILESCC(C)(C)CC(C)(C)C(CO)N(CCO)CCO
InChIInChI=1S/C14H31NO3/c1-13(2,3)11-14(4,5)12(10-18)15(6-8-16)7-9-17/h12,16-18H,6-11H2,1-5H3
InChIKeyVHFYBVSGTCAQAI-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.10
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol

2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol (PubChem CID 161298083) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol
PubChem CID161298083
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol
SMILESCC(C)(C)CC(C)(C)C(CO)N(CCO)CCO
InChIInChI=1S/C14H31NO3/c1-13(2,3)11-14(4,5)12(10-18)15(6-8-16)7-9-17/h12,16-18H,6-11H2,1-5H3
InChIKeyVHFYBVSGTCAQAI-UHFFFAOYSA-N
XLogP1.10
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol (CID 161298083) is 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol is CC(C)(C)CC(C)(C)C(CO)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol?
The InChIKey is VHFYBVSGTCAQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-13(2,3)11-14(4,5)12(10-18)15(6-8-16)7-9-17/h12,16-18H,6-11H2,1-5H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol?
2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-3,3,5,5-tetramethylhexan-1-ol is sourced from PubChem (CID 161298083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).