3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol

C9H17NO2 — CID 62065431

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CCC=CO1
InChIInChI=1S/C9H17NO2/c11-6-3-5-10-8-9-4-1-2-7-12-9/h2,7,9-11H,1,3-6,8H2
InChIKeyDIPBFQQGYSHBKL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds5

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol (PubChem CID 62065431) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
PubChem CID62065431
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CCC=CO1
InChIInChI=1S/C9H17NO2/c11-6-3-5-10-8-9-4-1-2-7-12-9/h2,7,9-11H,1,3-6,8H2
InChIKeyDIPBFQQGYSHBKL-UHFFFAOYSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
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-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 107094668
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1-difluoropropan-2-ol
CID 107095093
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol
CID 107095502
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
CID 143819446
1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-methylmethanamine;1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine
CID 157977968
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 62064374
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine
CID 62064379
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine
CID 62064433
N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine
CID 62064583
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine
CID 62064594
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 62064601

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol (CID 62065431) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol is OCCCNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
The InChIKey is DIPBFQQGYSHBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-3-5-10-8-9-4-1-2-7-12-9/h2,7,9-11H,1,3-6,8H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 62065431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).