1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol

C12H27NO3 — CID 106989797

IUPAC1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCCC(CC)NCC(O)COCCOC
InChIInChI=1S/C12H27NO3/c1-4-6-11(5-2)13-9-12(14)10-16-8-7-15-3/h11-14H,4-10H2,1-3H3
InChIKeyCKPUAPMEMJNRBI-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds11

About 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol

1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989797) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989797
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCCC(CC)NCC(O)COCCOC
InChIInChI=1S/C12H27NO3/c1-4-6-11(5-2)13-9-12(14)10-16-8-7-15-3/h11-14H,4-10H2,1-3H3
InChIKeyCKPUAPMEMJNRBI-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
1-(2-methoxyethoxy)-3-(1-methylsulfanylbutan-2-ylamino)propan-2-ol
CID 106990546
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol (CID 106989797) is 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol is CCCC(CC)NCC(O)COCCOC.
What is the InChIKey of 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is CKPUAPMEMJNRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-6-11(5-2)13-9-12(14)10-16-8-7-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol?
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).