N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine

C12H21NO2 — CID 115741911

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine
SMILESC1=C(CNCC2CCCCO2)COCC1
InChIInChI=1S/C12H21NO2/c1-2-7-15-12(5-1)9-13-8-11-4-3-6-14-10-11/h4,12-13H,1-3,5-10H2
InChIKeyUVPWREALDQYFPQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine (PubChem CID 115741911) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine
PubChem CID115741911
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine
SMILESC1=C(CNCC2CCCCO2)COCC1
InChIInChI=1S/C12H21NO2/c1-2-7-15-12(5-1)9-13-8-11-4-3-6-14-10-11/h4,12-13H,1-3,5-10H2
InChIKeyUVPWREALDQYFPQ-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68588043
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550
2-Hex-3-en-3-ylmorpholine
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2-(Cyclohexen-1-yl)morpholine
CID 69728825
4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
CID 155432635
(1S,5R)-7-ethyl-9-oxa-3-azabicyclo[3.3.1]non-6-ene
CID 169898228
2-(Cyclobuten-1-yl)morpholine
CID 174603550
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine (CID 115741911) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine is C1=C(CNCC2CCCCO2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine?
The InChIKey is UVPWREALDQYFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-7-15-12(5-1)9-13-8-11-4-3-6-14-10-11/h4,12-13H,1-3,5-10H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 115741911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).