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

C13H23NO — CID 62212992

IUPACcyclohepten-1-yl(oxan-2-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCCO1
InChIInChI=1S/C13H23NO/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h7,12-13H,1-6,8-10,14H2
InChIKeySCWFDWWFEWFXNS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.77
Rot. Bonds2

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

cyclohepten-1-yl(oxan-2-yl)methanamine (PubChem CID 62212992) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclohepten-1-yl(oxan-2-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(oxan-2-yl)methanamine
PubChem CID62212992
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclohepten-1-yl(oxan-2-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCCO1
InChIInChI=1S/C13H23NO/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h7,12-13H,1-6,8-10,14H2
InChIKeySCWFDWWFEWFXNS-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.77
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-(Cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207518
1-(Cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654842
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

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(oxan-2-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(oxan-2-yl)methanamine (CID 62212992) is cyclohepten-1-yl(oxan-2-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(oxan-2-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(oxan-2-yl)methanamine is NC(C1=CCCCCC1)C1CCCCO1.
What is the InChIKey of cyclohepten-1-yl(oxan-2-yl)methanamine?
The InChIKey is SCWFDWWFEWFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h7,12-13H,1-6,8-10,14H2.
What are the key properties of cyclohepten-1-yl(oxan-2-yl)methanamine?
cyclohepten-1-yl(oxan-2-yl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(oxan-2-yl)methanamine is sourced from PubChem (CID 62212992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).