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

C7H17NO3 — CID 106190319

IUPAC2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NCCCO
InChIInChI=1S/C7H17NO3/c1-11-6-7(5-10)8-3-2-4-9/h7-10H,2-6H2,1H3
InChIKeyDNHKJWPHNRHUSD-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.03
Rot. Bonds7

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

2-(3-hydroxypropylamino)-3-methoxypropan-1-ol (PubChem CID 106190319) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
PubChem CID106190319
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NCCCO
InChIInChI=1S/C7H17NO3/c1-11-6-7(5-10)8-3-2-4-9/h7-10H,2-6H2,1H3
InChIKeyDNHKJWPHNRHUSD-UHFFFAOYSA-N
XLogP-1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(decylamino)-3-methoxypropan-1-ol
CID 114155671
2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol
CID 106187247
4-methoxy-3-(3-methylsulfanylpropylamino)butan-1-ol
CID 106156471
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
3-methoxy-2-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 106190805
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol
CID 106190608
N-cyclopropyl-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190509
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol (CID 106190319) is 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol is COCC(CO)NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol?
The InChIKey is DNHKJWPHNRHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-11-6-7(5-10)8-3-2-4-9/h7-10H,2-6H2,1H3.
What are the key properties of 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol?
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol has a molecular weight of 163.22 g/mol, XLogP of -1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106190319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).