cyclopenten-1-yl(oxan-2-yl)methanamine

C11H19NO — CID 62212812

IUPACcyclopenten-1-yl(oxan-2-yl)methanamine
SMILESNC(C1=CCCC1)C1CCCCO1
InChIInChI=1S/C11H19NO/c12-11(9-5-1-2-6-9)10-7-3-4-8-13-10/h5,10-11H,1-4,6-8,12H2
InChIKeyQTLUBACTRGQQNY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds2

About cyclopenten-1-yl(oxan-2-yl)methanamine

cyclopenten-1-yl(oxan-2-yl)methanamine (PubChem CID 62212812) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclopenten-1-yl(oxan-2-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl(oxan-2-yl)methanamine
PubChem CID62212812
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclopenten-1-yl(oxan-2-yl)methanamine
SMILESNC(C1=CCCC1)C1CCCCO1
InChIInChI=1S/C11H19NO/c12-11(9-5-1-2-6-9)10-7-3-4-8-13-10/h5,10-11H,1-4,6-8,12H2
InChIKeyQTLUBACTRGQQNY-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 113860665
5-(Cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
CID 67562607
(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
CID 135127542
6-[(2E)-penta-2,4-dienyl]oxan-3-amine
CID 135127543
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
Cyclohepten-1-yl(oxolan-2-yl)methanamine
CID 62079084
Cyclopenten-1-yl(oxolan-2-yl)methanamine
CID 62079404
Cyclohexen-1-yl(oxolan-2-yl)methanamine
CID 62080509
Cyclohexen-1-yl(oxan-2-yl)methanamine
CID 62212632
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212633
N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212634

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl(oxan-2-yl)methanamine?
The IUPAC name of cyclopenten-1-yl(oxan-2-yl)methanamine (CID 62212812) is cyclopenten-1-yl(oxan-2-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl(oxan-2-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl(oxan-2-yl)methanamine is NC(C1=CCCC1)C1CCCCO1.
What is the InChIKey of cyclopenten-1-yl(oxan-2-yl)methanamine?
The InChIKey is QTLUBACTRGQQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11(9-5-1-2-6-9)10-7-3-4-8-13-10/h5,10-11H,1-4,6-8,12H2.
What are the key properties of cyclopenten-1-yl(oxan-2-yl)methanamine?
cyclopenten-1-yl(oxan-2-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(oxan-2-yl)methanamine is sourced from PubChem (CID 62212812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).