3-[(4-methoxybutylamino)methyl]hexan-1-ol

C12H27NO2 — CID 106115290

IUPAC3-[(4-methoxybutylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCCCCOC
InChIInChI=1S/C12H27NO2/c1-3-6-12(7-9-14)11-13-8-4-5-10-15-2/h12-14H,3-11H2,1-2H3
InChIKeyCMDQMGIRFKEDSZ-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds11

About 3-[(4-methoxybutylamino)methyl]hexan-1-ol

3-[(4-methoxybutylamino)methyl]hexan-1-ol (PubChem CID 106115290) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-[(4-methoxybutylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxybutylamino)methyl]hexan-1-ol
PubChem CID106115290
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-[(4-methoxybutylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCCCCOC
InChIInChI=1S/C12H27NO2/c1-3-6-12(7-9-14)11-13-8-4-5-10-15-2/h12-14H,3-11H2,1-2H3
InChIKeyCMDQMGIRFKEDSZ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
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

N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
3-[(hept-6-enylamino)methyl]hexan-1-ol
CID 106115194
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
CID 106115414
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
N-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]acetamide
CID 106115320
N,2-dipropylpentan-1-amine
CID 62530512
5-methoxy-2-propylpentan-1-ol
CID 66060260
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybutylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(4-methoxybutylamino)methyl]hexan-1-ol (CID 106115290) is 3-[(4-methoxybutylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(4-methoxybutylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(4-methoxybutylamino)methyl]hexan-1-ol is CCCC(CCO)CNCCCCOC.
What is the InChIKey of 3-[(4-methoxybutylamino)methyl]hexan-1-ol?
The InChIKey is CMDQMGIRFKEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-6-12(7-9-14)11-13-8-4-5-10-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-[(4-methoxybutylamino)methyl]hexan-1-ol?
3-[(4-methoxybutylamino)methyl]hexan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxybutylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).