3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol

C12H28N2O2 — CID 106811257

IUPAC3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)CCOC
InChIInChI=1S/C12H28N2O2/c1-4-12(15,11-13)7-6-8-14(5-2)9-10-16-3/h15H,4-11,13H2,1-3H3
InChIKeyRHIYFNBLFPPWDA-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.83
Rot. Bonds10

About 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol

3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol (PubChem CID 106811257) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
PubChem CID106811257
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)CCOC
InChIInChI=1S/C12H28N2O2/c1-4-12(15,11-13)7-6-8-14(5-2)9-10-16-3/h15H,4-11,13H2,1-3H3
InChIKeyRHIYFNBLFPPWDA-UHFFFAOYSA-N
XLogP0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
CID 106811400
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
CID 115919423
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol (CID 106811257) is 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol is CCN(CCCC(O)(CC)CN)CCOC.
What is the InChIKey of 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol?
The InChIKey is RHIYFNBLFPPWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-12(15,11-13)7-6-8-14(5-2)9-10-16-3/h15H,4-11,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol has a molecular weight of 232.37 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol is sourced from PubChem (CID 106811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).