6-amino-2-(methoxymethyl)hexan-1-ol;ethane

C10H25NO2 — CID 142287237

IUPAC6-amino-2-(methoxymethyl)hexan-1-ol;ethane
SMILESCC.COCC(CO)CCCCN
InChIInChI=1S/C8H19NO2.C2H6/c1-11-7-8(6-10)4-2-3-5-9;1-2/h8,10H,2-7,9H2,1H3;1-2H3
InChIKeyPMZRGEQXNFLHCY-UHFFFAOYSA-N
MW191.31 g/mol
LogP1.40
Rot. Bonds7

About 6-amino-2-(methoxymethyl)hexan-1-ol;ethane

6-amino-2-(methoxymethyl)hexan-1-ol;ethane (PubChem CID 142287237) has the molecular formula C10H25NO2 and a molecular weight of 191.31 g/mol. Its IUPAC name is 6-amino-2-(methoxymethyl)hexan-1-ol;ethane.

Molecular Properties

Compound Name6-amino-2-(methoxymethyl)hexan-1-ol;ethane
PubChem CID142287237
Molecular FormulaC10H25NO2
Molecular Weight191.31 g/mol
Exact Mass191.19
IUPAC Name6-amino-2-(methoxymethyl)hexan-1-ol;ethane
SMILESCC.COCC(CO)CCCCN
InChIInChI=1S/C8H19NO2.C2H6/c1-11-7-8(6-10)4-2-3-5-9;1-2/h8,10H,2-7,9H2,1H3;1-2H3
InChIKeyPMZRGEQXNFLHCY-UHFFFAOYSA-N
XLogP1.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol
CID 56611362
4-methoxy-3-(methoxymethyl)butan-1-amine
CID 130900208
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate
CID 167585419
[2-(hydroxymethyl)-3-methoxypropyl]azanium
CID 163541121
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
2-ethyl-5-methoxypentan-1-ol
CID 66059836
5-(methoxymethyl)decane
CID 123387036
19-(methoxymethyl)heptatriacontane
CID 59499210
9-amino-5-methylnonan-1-ol
CID 57209196
5-methoxy-2-propylpentan-1-ol
CID 66060260
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(methoxymethyl)hexan-1-ol;ethane?
The IUPAC name of 6-amino-2-(methoxymethyl)hexan-1-ol;ethane (CID 142287237) is 6-amino-2-(methoxymethyl)hexan-1-ol;ethane.
What is the SMILES notation for 6-amino-2-(methoxymethyl)hexan-1-ol;ethane?
The canonical SMILES for 6-amino-2-(methoxymethyl)hexan-1-ol;ethane is CC.COCC(CO)CCCCN.
What is the InChIKey of 6-amino-2-(methoxymethyl)hexan-1-ol;ethane?
The InChIKey is PMZRGEQXNFLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.C2H6/c1-11-7-8(6-10)4-2-3-5-9;1-2/h8,10H,2-7,9H2,1H3;1-2H3.
What are the key properties of 6-amino-2-(methoxymethyl)hexan-1-ol;ethane?
6-amino-2-(methoxymethyl)hexan-1-ol;ethane has a molecular weight of 191.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(methoxymethyl)hexan-1-ol;ethane is sourced from PubChem (CID 142287237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).