[3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol

C8H21N5O — CID 122229354

IUPAC[3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol
SMILESNCCN1CN(CO)CN(CCN)C1
InChIInChI=1S/C8H21N5O/c9-1-3-11-5-12(4-2-10)7-13(6-11)8-14/h14H,1-10H2
InChIKeyLWISSJGOMXALEM-UHFFFAOYSA-N
MW203.29 g/mol
LogP-2.35
Rot. Bonds5

About [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol

[3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol (PubChem CID 122229354) has the molecular formula C8H21N5O and a molecular weight of 203.29 g/mol. Its IUPAC name is [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol.

Molecular Properties

Compound Name[3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol
PubChem CID122229354
Molecular FormulaC8H21N5O
Molecular Weight203.29 g/mol
Exact Mass203.17
IUPAC Name[3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol
SMILESNCCN1CN(CO)CN(CCN)C1
InChIInChI=1S/C8H21N5O/c9-1-3-11-5-12(4-2-10)7-13(6-11)8-14/h14H,1-10H2
InChIKeyLWISSJGOMXALEM-UHFFFAOYSA-N
XLogP-2.35
TPSA81.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol?
The IUPAC name of [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol (CID 122229354) is [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol.
What is the SMILES notation for [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol?
The canonical SMILES for [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol is NCCN1CN(CO)CN(CCN)C1.
What is the InChIKey of [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol?
The InChIKey is LWISSJGOMXALEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5O/c9-1-3-11-5-12(4-2-10)7-13(6-11)8-14/h14H,1-10H2.
What are the key properties of [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol?
[3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol has a molecular weight of 203.29 g/mol, XLogP of -2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol is sourced from PubChem (CID 122229354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).