4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol

C16H38N4O2 — CID 58308945

IUPAC4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol
SMILESCN(CCN(C)CC(O)CC(C)(C)N)CC(O)CC(C)(C)N
InChIInChI=1S/C16H38N4O2/c1-15(2,17)9-13(21)11-19(5)7-8-20(6)12-14(22)10-16(3,4)18/h13-14,21-22H,7-12,17-18H2,1-6H3
InChIKeyOWSYDGPOVZNBLM-UHFFFAOYSA-N
MW318.51 g/mol
LogP-0.17
Rot. Bonds11

About 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol

4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol (PubChem CID 58308945) has the molecular formula C16H38N4O2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol
PubChem CID58308945
Molecular FormulaC16H38N4O2
Molecular Weight318.51 g/mol
Exact Mass318.30
IUPAC Name4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol
SMILESCN(CCN(C)CC(O)CC(C)(C)N)CC(O)CC(C)(C)N
InChIInChI=1S/C16H38N4O2/c1-15(2,17)9-13(21)11-19(5)7-8-20(6)12-14(22)10-16(3,4)18/h13-14,21-22H,7-12,17-18H2,1-6H3
InChIKeyOWSYDGPOVZNBLM-UHFFFAOYSA-N
XLogP-0.17
TPSA98.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol?
The IUPAC name of 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol (CID 58308945) is 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol is CN(CCN(C)CC(O)CC(C)(C)N)CC(O)CC(C)(C)N.
What is the InChIKey of 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol?
The InChIKey is OWSYDGPOVZNBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4O2/c1-15(2,17)9-13(21)11-19(5)7-8-20(6)12-14(22)10-16(3,4)18/h13-14,21-22H,7-12,17-18H2,1-6H3.
What are the key properties of 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol?
4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol has a molecular weight of 318.51 g/mol, XLogP of -0.17, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[(4-amino-2-hydroxy-4-methylpentyl)-methylamino]ethyl-methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 58308945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).