2-(decylamino)-3-methoxypropan-1-ol

C14H31NO2 — CID 114155671

IUPAC2-(decylamino)-3-methoxypropan-1-ol
SMILESCCCCCCCCCCNC(CO)COC
InChIInChI=1S/C14H31NO2/c1-3-4-5-6-7-8-9-10-11-15-14(12-16)13-17-2/h14-16H,3-13H2,1-2H3
InChIKeyKPGYXGBYKGBCFR-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.72
Rot. Bonds13

About 2-(decylamino)-3-methoxypropan-1-ol

2-(decylamino)-3-methoxypropan-1-ol (PubChem CID 114155671) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(decylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(decylamino)-3-methoxypropan-1-ol
PubChem CID114155671
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-(decylamino)-3-methoxypropan-1-ol
SMILESCCCCCCCCCCNC(CO)COC
InChIInChI=1S/C14H31NO2/c1-3-4-5-6-7-8-9-10-11-15-14(12-16)13-17-2/h14-16H,3-13H2,1-2H3
InChIKeyKPGYXGBYKGBCFR-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.72
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

3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
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 2-(decylamino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(decylamino)-3-methoxypropan-1-ol (CID 114155671) is 2-(decylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(decylamino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(decylamino)-3-methoxypropan-1-ol is CCCCCCCCCCNC(CO)COC.
What is the InChIKey of 2-(decylamino)-3-methoxypropan-1-ol?
The InChIKey is KPGYXGBYKGBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-4-5-6-7-8-9-10-11-15-14(12-16)13-17-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-(decylamino)-3-methoxypropan-1-ol?
2-(decylamino)-3-methoxypropan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.72, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 114155671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).