4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol

C16H35NO4 — CID 106246427

IUPAC4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
SMILESCCCCCCCCOCC(O)CNCCC(O)COC
InChIInChI=1S/C16H35NO4/c1-3-4-5-6-7-8-11-21-14-16(19)12-17-10-9-15(18)13-20-2/h15-19H,3-14H2,1-2H3
InChIKeyLOYBCNIBUXKVIV-UHFFFAOYSA-N
MW305.46 g/mol
LogP1.71
Rot. Bonds16

About 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol

4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol (PubChem CID 106246427) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
PubChem CID106246427
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
SMILESCCCCCCCCOCC(O)CNCCC(O)COC
InChIInChI=1S/C16H35NO4/c1-3-4-5-6-7-8-11-21-14-16(19)12-17-10-9-15(18)13-20-2/h15-19H,3-14H2,1-2H3
InChIKeyLOYBCNIBUXKVIV-UHFFFAOYSA-N
XLogP1.71
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
4-(heptylamino)-1-methoxybutan-2-ol
CID 106245003
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
CID 62634911
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol (CID 106246427) is 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol is CCCCCCCCOCC(O)CNCCC(O)COC.
What is the InChIKey of 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol?
The InChIKey is LOYBCNIBUXKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-3-4-5-6-7-8-11-21-14-16(19)12-17-10-9-15(18)13-20-2/h15-19H,3-14H2,1-2H3.
What are the key properties of 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol?
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 1.71, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106246427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).