3-methoxy-2-(nonylamino)propan-1-ol

C13H29NO2 — CID 106190641

IUPAC3-methoxy-2-(nonylamino)propan-1-ol
SMILESCCCCCCCCCNC(CO)COC
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-8-9-10-14-13(11-15)12-16-2/h13-15H,3-12H2,1-2H3
InChIKeyHLQSCWIQWUPNQV-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds12

About 3-methoxy-2-(nonylamino)propan-1-ol

3-methoxy-2-(nonylamino)propan-1-ol (PubChem CID 106190641) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methoxy-2-(nonylamino)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-(nonylamino)propan-1-ol
PubChem CID106190641
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-methoxy-2-(nonylamino)propan-1-ol
SMILESCCCCCCCCCNC(CO)COC
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-8-9-10-14-13(11-15)12-16-2/h13-15H,3-12H2,1-2H3
InChIKeyHLQSCWIQWUPNQV-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
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

2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
CID 106180457
2-(decylamino)butan-1-ol
CID 60668820
2-(hexylamino)pentan-1-ol
CID 155661034
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(nonylamino)propan-1-ol?
The IUPAC name of 3-methoxy-2-(nonylamino)propan-1-ol (CID 106190641) is 3-methoxy-2-(nonylamino)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-(nonylamino)propan-1-ol?
The canonical SMILES for 3-methoxy-2-(nonylamino)propan-1-ol is CCCCCCCCCNC(CO)COC.
What is the InChIKey of 3-methoxy-2-(nonylamino)propan-1-ol?
The InChIKey is HLQSCWIQWUPNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-3-4-5-6-7-8-9-10-14-13(11-15)12-16-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-2-(nonylamino)propan-1-ol?
3-methoxy-2-(nonylamino)propan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(nonylamino)propan-1-ol is sourced from PubChem (CID 106190641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).