4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol

C14H33N3O3 — CID 88768729

IUPAC4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
SMILESCN(C)CCC(CCN(C)C)(CCN(C)C)C(O)(O)O
InChIInChI=1S/C14H33N3O3/c1-15(2)10-7-13(14(18,19)20,8-11-16(3)4)9-12-17(5)6/h18-20H,7-12H2,1-6H3
InChIKeyCAXFTARBNGKSAT-UHFFFAOYSA-N
MW291.44 g/mol
LogP-0.54
Rot. Bonds10

About 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol

4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol (PubChem CID 88768729) has the molecular formula C14H33N3O3 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol.

Molecular Properties

Compound Name4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
PubChem CID88768729
Molecular FormulaC14H33N3O3
Molecular Weight291.44 g/mol
Exact Mass291.25
IUPAC Name4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
SMILESCN(C)CCC(CCN(C)C)(CCN(C)C)C(O)(O)O
InChIInChI=1S/C14H33N3O3/c1-15(2)10-7-13(14(18,19)20,8-11-16(3)4)9-12-17(5)6/h18-20H,7-12H2,1-6H3
InChIKeyCAXFTARBNGKSAT-UHFFFAOYSA-N
XLogP-0.54
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 58881629
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CID 89049269
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
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CID 46918109
[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium
CID 88562256
2,2-dibutylheptane-1,1,1-triol
CID 19424783
6-(dimethylamino)-3-methylhexan-3-ol
CID 12542595
3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
CID 164750438
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CID 65250173
CID 88826921
CID 88826921

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol?
The IUPAC name of 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol (CID 88768729) is 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol.
What is the SMILES notation for 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol?
The canonical SMILES for 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol is CN(C)CCC(CCN(C)C)(CCN(C)C)C(O)(O)O.
What is the InChIKey of 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol?
The InChIKey is CAXFTARBNGKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O3/c1-15(2)10-7-13(14(18,19)20,8-11-16(3)4)9-12-17(5)6/h18-20H,7-12H2,1-6H3.
What are the key properties of 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol?
4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol has a molecular weight of 291.44 g/mol, XLogP of -0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol is sourced from PubChem (CID 88768729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).