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

C11H26N2O2 — CID 103391070

IUPAC1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC(CCCN)COC
InChIInChI=1S/C11H26N2O2/c1-3-5-11(14)8-13-10(9-15-2)6-4-7-12/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyJDGBEQSXUKYRJV-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.49
Rot. Bonds10

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

1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol (PubChem CID 103391070) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
PubChem CID103391070
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC(CCCN)COC
InChIInChI=1S/C11H26N2O2/c1-3-5-11(14)8-13-10(9-15-2)6-4-7-12/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyJDGBEQSXUKYRJV-UHFFFAOYSA-N
XLogP0.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
CID 115725096
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246690
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
CID 103387634
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol (CID 103391070) is 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol is CCCC(O)CNC(CCCN)COC.
What is the InChIKey of 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol?
The InChIKey is JDGBEQSXUKYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-3-5-11(14)8-13-10(9-15-2)6-4-7-12/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol?
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 103391070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).