1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol

C12H28N2O — CID 64819989

IUPAC1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
SMILESCCC(CC)N(C)CCCC(C)(O)CN
InChIInChI=1S/C12H28N2O/c1-5-11(6-2)14(4)9-7-8-12(3,15)10-13/h11,15H,5-10,13H2,1-4H3
InChIKeyDWPITGGAXVVQCS-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.60
Rot. Bonds8

About 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol

1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol (PubChem CID 64819989) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
PubChem CID64819989
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
SMILESCCC(CC)N(C)CCCC(C)(O)CN
InChIInChI=1S/C12H28N2O/c1-5-11(6-2)14(4)9-7-8-12(3,15)10-13/h11,15H,5-10,13H2,1-4H3
InChIKeyDWPITGGAXVVQCS-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol (CID 64819989) is 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol is CCC(CC)N(C)CCCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol?
The InChIKey is DWPITGGAXVVQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-11(6-2)14(4)9-7-8-12(3,15)10-13/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol?
1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 64819989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).