3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol

C9H22N2O3 — CID 103390268

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
SMILESCOCC(CCCN)NCC(O)CO
InChIInChI=1S/C9H22N2O3/c1-14-7-8(3-2-4-10)11-5-9(13)6-12/h8-9,11-13H,2-7,10H2,1H3
InChIKeyNHHMZWZELXRVEV-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.32
Rot. Bonds9

About 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol

3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol (PubChem CID 103390268) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
PubChem CID103390268
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
SMILESCOCC(CCCN)NCC(O)CO
InChIInChI=1S/C9H22N2O3/c1-14-7-8(3-2-4-10)11-5-9(13)6-12/h8-9,11-13H,2-7,10H2,1H3
InChIKeyNHHMZWZELXRVEV-UHFFFAOYSA-N
XLogP-1.32
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
CID 103387634
2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864954
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
CID 103387429
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106349081

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol (CID 103390268) is 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol is COCC(CCCN)NCC(O)CO.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol?
The InChIKey is NHHMZWZELXRVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-14-7-8(3-2-4-10)11-5-9(13)6-12/h8-9,11-13H,2-7,10H2,1H3.
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol?
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol has a molecular weight of 206.29 g/mol, XLogP of -1.32, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 103390268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).