1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol

C11H27N3O — CID 57049297

IUPAC1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol
SMILESCCN(CC)C(CCN)C(O)C(C)CN
InChIInChI=1S/C11H27N3O/c1-4-14(5-2)10(6-7-12)11(15)9(3)8-13/h9-11,15H,4-8,12-13H2,1-3H3
InChIKeyONOXGBIKTAPOPL-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.00
Rot. Bonds8

About 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol

1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol (PubChem CID 57049297) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol.

Molecular Properties

Compound Name1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol
PubChem CID57049297
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol
SMILESCCN(CC)C(CCN)C(O)C(C)CN
InChIInChI=1S/C11H27N3O/c1-4-14(5-2)10(6-7-12)11(15)9(3)8-13/h9-11,15H,4-8,12-13H2,1-3H3
InChIKeyONOXGBIKTAPOPL-UHFFFAOYSA-N
XLogP0.00
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol?
The IUPAC name of 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol (CID 57049297) is 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol.
What is the SMILES notation for 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol?
The canonical SMILES for 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol is CCN(CC)C(CCN)C(O)C(C)CN.
What is the InChIKey of 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol?
The InChIKey is ONOXGBIKTAPOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-4-14(5-2)10(6-7-12)11(15)9(3)8-13/h9-11,15H,4-8,12-13H2,1-3H3.
What are the key properties of 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol?
1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol has a molecular weight of 217.36 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diamino-4-(diethylamino)-2-methylhexan-3-ol is sourced from PubChem (CID 57049297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).