3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol

C10H25N3O3 — CID 88755675

IUPAC3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol
SMILESCCNCC(O)C(N)(CO)C(O)CN(C)C
InChIInChI=1S/C10H25N3O3/c1-4-12-5-8(15)10(11,7-14)9(16)6-13(2)3/h8-9,12,14-16H,4-7,11H2,1-3H3
InChIKeyBGHVYUVDJGZZAO-UHFFFAOYSA-N
MW235.33 g/mol
LogP-2.43
Rot. Bonds8

About 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol

3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol (PubChem CID 88755675) has the molecular formula C10H25N3O3 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol.

Molecular Properties

Compound Name3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol
PubChem CID88755675
Molecular FormulaC10H25N3O3
Molecular Weight235.33 g/mol
Exact Mass235.19
IUPAC Name3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol
SMILESCCNCC(O)C(N)(CO)C(O)CN(C)C
InChIInChI=1S/C10H25N3O3/c1-4-12-5-8(15)10(11,7-14)9(16)6-13(2)3/h8-9,12,14-16H,4-7,11H2,1-3H3
InChIKeyBGHVYUVDJGZZAO-UHFFFAOYSA-N
XLogP-2.43
TPSA101.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol?
The IUPAC name of 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol (CID 88755675) is 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol.
What is the SMILES notation for 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol?
The canonical SMILES for 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol is CCNCC(O)C(N)(CO)C(O)CN(C)C.
What is the InChIKey of 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol?
The InChIKey is BGHVYUVDJGZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O3/c1-4-12-5-8(15)10(11,7-14)9(16)6-13(2)3/h8-9,12,14-16H,4-7,11H2,1-3H3.
What are the key properties of 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol?
3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol has a molecular weight of 235.33 g/mol, XLogP of -2.43, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(dimethylamino)-5-(ethylamino)-3-(hydroxymethyl)pentane-2,4-diol is sourced from PubChem (CID 88755675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).