1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol

C12H29N3O — CID 22055175

IUPAC1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol
SMILESCCC(O)CN(CCN(C)C)CCN(C)C
InChIInChI=1S/C12H29N3O/c1-6-12(16)11-15(9-7-13(2)3)10-8-14(4)5/h12,16H,6-11H2,1-5H3
InChIKeyUDXVXXKNXYRVBV-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.18
Rot. Bonds9

About 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol

1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol (PubChem CID 22055175) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol
PubChem CID22055175
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol
SMILESCCC(O)CN(CCN(C)C)CCN(C)C
InChIInChI=1S/C12H29N3O/c1-6-12(16)11-15(9-7-13(2)3)10-8-14(4)5/h12,16H,6-11H2,1-5H3
InChIKeyUDXVXXKNXYRVBV-UHFFFAOYSA-N
XLogP0.18
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol?
The IUPAC name of 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol (CID 22055175) is 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol.
What is the SMILES notation for 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol?
The canonical SMILES for 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol is CCC(O)CN(CCN(C)C)CCN(C)C.
What is the InChIKey of 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol?
The InChIKey is UDXVXXKNXYRVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-6-12(16)11-15(9-7-13(2)3)10-8-14(4)5/h12,16H,6-11H2,1-5H3.
What are the key properties of 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol?
1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 0.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol is sourced from PubChem (CID 22055175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).