methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium

C10H19N — CID 90876384

IUPACmethanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium
SMILESC=C1CCCC(C(C)[NH2+][CH2-])C1
InChIInChI=1S/C10H19N/c1-8-5-4-6-10(7-8)9(2)11-3/h9-10H,1,3-7,11H2,2H3
InChIKeyRYHSJBQPMFZOPT-UHFFFAOYSA-N
MW153.27 g/mol
LogP1.48
Rot. Bonds2

About methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium

methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium (PubChem CID 90876384) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium.

Molecular Properties

Compound Namemethanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium
PubChem CID90876384
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Namemethanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium
SMILESC=C1CCCC(C(C)[NH2+][CH2-])C1
InChIInChI=1S/C10H19N/c1-8-5-4-6-10(7-8)9(2)11-3/h9-10H,1,3-7,11H2,2H3
InChIKeyRYHSJBQPMFZOPT-UHFFFAOYSA-N
XLogP1.48
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium?
The IUPAC name of methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium (CID 90876384) is methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium.
What is the SMILES notation for methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium?
The canonical SMILES for methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium is C=C1CCCC(C(C)[NH2+][CH2-])C1.
What is the InChIKey of methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium?
The InChIKey is RYHSJBQPMFZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-5-4-6-10(7-8)9(2)11-3/h9-10H,1,3-7,11H2,2H3.
What are the key properties of methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium?
methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium has a molecular weight of 153.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[1-(3-methylidenecyclohexyl)ethyl]azanium is sourced from PubChem (CID 90876384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).