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

C10H19NO2 — CID 62065962

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-2-9(8-12)11-7-10-5-3-4-6-13-10/h4,6,9-12H,2-3,5,7-8H2,1H3
InChIKeyMFYMRXGCORFXHI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds5

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol (PubChem CID 62065962) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol
PubChem CID62065962
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-2-9(8-12)11-7-10-5-3-4-6-13-10/h4,6,9-12H,2-3,5,7-8H2,1H3
InChIKeyMFYMRXGCORFXHI-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
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
3-Ethylamino-5-hexene-2-ol
CID 566897
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-(Pentylamino)pent-4-en-1-ol
CID 89762075
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
2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol
CID 166738475

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol (CID 62065962) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol is CCC(CO)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol?
The InChIKey is MFYMRXGCORFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(8-12)11-7-10-5-3-4-6-13-10/h4,6,9-12H,2-3,5,7-8H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 62065962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).