cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine

C14H25NO2 — CID 106654606

IUPACcyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2=CCCCCC2)CCOCC1
InChIInChI=1S/C14H25NO2/c1-16-14(8-10-17-11-9-14)13(15)12-6-4-2-3-5-7-12/h6,13H,2-5,7-11,15H2,1H3
InChIKeyWOUFLFCMJZFXMR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.40
Rot. Bonds3

About cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine

cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine (PubChem CID 106654606) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
PubChem CID106654606
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namecyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2=CCCCCC2)CCOCC1
InChIInChI=1S/C14H25NO2/c1-16-14(8-10-17-11-9-14)13(15)12-6-4-2-3-5-7-12/h6,13H,2-5,7-11,15H2,1H3
InChIKeyWOUFLFCMJZFXMR-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.40
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

[cycloocten-1-yl-(1-methoxycycloheptyl)methyl]hydrazine
CID 106649647
2,3-dihydrofuran-4-yl-(3-methoxyoxolan-3-yl)methanamine
CID 131081537
(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
CID 116764533
2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine
CID 102652274
1-(cyclohexen-1-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 106654422
cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
CID 106652262
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731435
(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine
CID 116764560
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
CID 62881918
cyclohexen-1-yl-(1-piperidin-1-ylcyclopentyl)methanamine
CID 106653694

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine (CID 106654606) is cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)C2=CCCCCC2)CCOCC1.
What is the InChIKey of cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is WOUFLFCMJZFXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-16-14(8-10-17-11-9-14)13(15)12-6-4-2-3-5-7-12/h6,13H,2-5,7-11,15H2,1H3.
What are the key properties of cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine?
cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 106654606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).