2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol

C15H35N3O3 — CID 142732273

IUPAC2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)(N)C(CC(CO)(CO)CO)(C(C)(C)N)C(C)(C)N
InChIInChI=1S/C15H35N3O3/c1-11(2,16)15(12(3,4)17,13(5,6)18)7-14(8-19,9-20)10-21/h19-21H,7-10,16-18H2,1-6H3
InChIKeyQUEAIXFMEWNVRQ-UHFFFAOYSA-N
MW305.46 g/mol
LogP-0.46
Rot. Bonds8

About 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol

2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 142732273) has the molecular formula C15H35N3O3 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID142732273
Molecular FormulaC15H35N3O3
Molecular Weight305.46 g/mol
Exact Mass305.27
IUPAC Name2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)(N)C(CC(CO)(CO)CO)(C(C)(C)N)C(C)(C)N
InChIInChI=1S/C15H35N3O3/c1-11(2,16)15(12(3,4)17,13(5,6)18)7-14(8-19,9-20)10-21/h19-21H,7-10,16-18H2,1-6H3
InChIKeyQUEAIXFMEWNVRQ-UHFFFAOYSA-N
XLogP-0.46
TPSA138.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 5-0.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol (CID 142732273) is 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol is CC(C)(N)C(CC(CO)(CO)CO)(C(C)(C)N)C(C)(C)N.
What is the InChIKey of 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is QUEAIXFMEWNVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O3/c1-11(2,16)15(12(3,4)17,13(5,6)18)7-14(8-19,9-20)10-21/h19-21H,7-10,16-18H2,1-6H3.
What are the key properties of 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 305.46 g/mol, XLogP of -0.46, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2,2-bis(2-aminopropan-2-yl)-3-methylbutyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 142732273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).