cyclohepten-1-yl(cyclopentyl)methanamine

C13H23N — CID 62079813

IUPACcyclohepten-1-yl(cyclopentyl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCC1
InChIInChI=1S/C13H23N/c14-13(12-9-5-6-10-12)11-7-3-1-2-4-8-11/h7,12-13H,1-6,8-10,14H2
InChIKeyPWCQHJHUCNOAKP-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.39
Rot. Bonds2

About cyclohepten-1-yl(cyclopentyl)methanamine

cyclohepten-1-yl(cyclopentyl)methanamine (PubChem CID 62079813) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is cyclohepten-1-yl(cyclopentyl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(cyclopentyl)methanamine
PubChem CID62079813
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namecyclohepten-1-yl(cyclopentyl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCC1
InChIInChI=1S/C13H23N/c14-13(12-9-5-6-10-12)11-7-3-1-2-4-8-11/h7,12-13H,1-6,8-10,14H2
InChIKeyPWCQHJHUCNOAKP-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.39
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(cyclooctyl)methanamine
CID 65018804
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(cyclopentyl)methanamine?
The IUPAC name of cyclohepten-1-yl(cyclopentyl)methanamine (CID 62079813) is cyclohepten-1-yl(cyclopentyl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(cyclopentyl)methanamine?
The canonical SMILES for cyclohepten-1-yl(cyclopentyl)methanamine is NC(C1=CCCCCC1)C1CCCC1.
What is the InChIKey of cyclohepten-1-yl(cyclopentyl)methanamine?
The InChIKey is PWCQHJHUCNOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-13(12-9-5-6-10-12)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(cyclopentyl)methanamine?
cyclohepten-1-yl(cyclopentyl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(cyclopentyl)methanamine is sourced from PubChem (CID 62079813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).