cyclohepten-1-yl(cyclooctyl)methanamine

C16H29N — CID 65018804

IUPACcyclohepten-1-yl(cyclooctyl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCCCCC1
InChIInChI=1S/C16H29N/c17-16(15-12-8-4-5-9-13-15)14-10-6-2-1-3-7-11-14/h12,14,16H,1-11,13,17H2
InChIKeyBQWWLPXNVRECLA-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.56
Rot. Bonds2

About cyclohepten-1-yl(cyclooctyl)methanamine

cyclohepten-1-yl(cyclooctyl)methanamine (PubChem CID 65018804) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is cyclohepten-1-yl(cyclooctyl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(cyclooctyl)methanamine
PubChem CID65018804
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Namecyclohepten-1-yl(cyclooctyl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCCCCC1
InChIInChI=1S/C16H29N/c17-16(15-12-8-4-5-9-13-15)14-10-6-2-1-3-7-11-14/h12,14,16H,1-11,13,17H2
InChIKeyBQWWLPXNVRECLA-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine
CID 106652734
cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 106657070
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
cyclohepten-1-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106653032
1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
CID 106653178
cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64903915
cyclopenten-1-yl(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892741
[2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxyethyl]hydrazine
CID 106649654

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(cyclooctyl)methanamine?
The IUPAC name of cyclohepten-1-yl(cyclooctyl)methanamine (CID 65018804) is cyclohepten-1-yl(cyclooctyl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(cyclooctyl)methanamine?
The canonical SMILES for cyclohepten-1-yl(cyclooctyl)methanamine is NC(C1=CCCCCC1)C1CCCCCCC1.
What is the InChIKey of cyclohepten-1-yl(cyclooctyl)methanamine?
The InChIKey is BQWWLPXNVRECLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c17-16(15-12-8-4-5-9-13-15)14-10-6-2-1-3-7-11-14/h12,14,16H,1-11,13,17H2.
What are the key properties of cyclohepten-1-yl(cyclooctyl)methanamine?
cyclohepten-1-yl(cyclooctyl)methanamine has a molecular weight of 235.41 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(cyclooctyl)methanamine is sourced from PubChem (CID 65018804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).