[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol

C12H21NO2 — CID 115742181

IUPAC[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NCC1=CCCOC1
InChIInChI=1S/C12H21NO2/c14-8-11-4-1-5-12(11)13-7-10-3-2-6-15-9-10/h3,11-14H,1-2,4-9H2
InChIKeyKBNQOIGVAGYJQL-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.08
Rot. Bonds4

About [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol

[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol (PubChem CID 115742181) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol
PubChem CID115742181
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NCC1=CCCOC1
InChIInChI=1S/C12H21NO2/c14-8-11-4-1-5-12(11)13-7-10-3-2-6-15-9-10/h3,11-14H,1-2,4-9H2
InChIKeyKBNQOIGVAGYJQL-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(2-methoxyethylidene)-4-methyl-3-(methylamino)hexan-1-ol
CID 156445858
[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
CID 103816353
[2-(Cyclohex-2-en-1-ylamino)cyclopentyl]methanol
CID 106360957
3-cyclohexyl-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)propan-1-ol
CID 109897134
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353570
1-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclopentan-1-ol
CID 112353607
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
CID 112353664
3-cyclopropyl-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)propan-1-ol
CID 112353695
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-methylcyclopentyl]methanol
CID 112353716
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353718
2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclopentan-1-ol
CID 112353720
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]hexan-1-ol
CID 112353729

Frequently Asked Questions

What is the IUPAC name of [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol?
The IUPAC name of [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol (CID 115742181) is [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol is OCC1CCCC1NCC1=CCCOC1.
What is the InChIKey of [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol?
The InChIKey is KBNQOIGVAGYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-8-11-4-1-5-12(11)13-7-10-3-2-6-15-9-10/h3,11-14H,1-2,4-9H2.
What are the key properties of [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol?
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol has a molecular weight of 211.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol is sourced from PubChem (CID 115742181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).