1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol

C13H30N2O2 — CID 60635450

IUPAC1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNCCN(C)C
InChIInChI=1S/C13H30N2O2/c1-4-5-6-7-10-17-12-13(16)11-14-8-9-15(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyPPJJUTVRLGTBFZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.10
Rot. Bonds12

About 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol

1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol (PubChem CID 60635450) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
PubChem CID60635450
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNCCN(C)C
InChIInChI=1S/C13H30N2O2/c1-4-5-6-7-10-17-12-13(16)11-14-8-9-15(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyPPJJUTVRLGTBFZ-UHFFFAOYSA-N
XLogP1.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.10
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-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
CID 62634911
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-hexoxypropan-2-ol
CID 55142384
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol (CID 60635450) is 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol is CCCCCCOCC(O)CNCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol?
The InChIKey is PPJJUTVRLGTBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-4-5-6-7-10-17-12-13(16)11-14-8-9-15(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol?
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 1.10, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol is sourced from PubChem (CID 60635450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).